SCHEMBL896271

SCHEMBL896271

COc1cc(C=O)cc(C(F)(F)F)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.42
TRIM24 O15164 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
APP P05067 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL660556 0.89 KIF11 (0.40) ALDH1A1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL668308 0.85 TUBB4A (0.48) ALDH1A1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL31128571 0.83 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL16077415 0.83 SRC (0.45) ALDH1A1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL1458171 0.81 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2CYP3A4HPGD
SCHEMBL16610370 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL16619850 0.81 ALDH1A1 (0.59) ALDH1A1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL96635 0.81 ALDH1A1 (0.59) ALDH1A1TSHRKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL23711567 0.79 ALDH1A1 (0.57) ALDH1A1TSHRKDM4ECYP1A2HPGD
SCHEMBL14835727 0.79 PDCD1 (0.46) ALDH1A1TSHRKDM4ECYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902386-A Phenyl methanone derivatives as FTO inhibitors 瑞璞鑫(苏州)生物科技有限公司 2020-11-06 CN disclosed
US-10342766-B2 6-shogaol derivatives and activities thereof NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY (US) 2019-07-09 US disclosed
US-10188659-B2 IGF-1R signaling pathway inhibitors useful in the treatment of neurodegenerative diseases YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2019-01-29 US disclosed
EP-3021944-B1 IGF-1R SIGNALING PATHWAY INHIBITORS USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2018-12-19 EP disclosed
US-20180064725-A1 IGF-1R SIGNALING PATHWAY INHIBITORS USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2018-03-08 US disclosed
US-9770454-B2 IGF-1R signaling pathway inhibitors useful in the treatment of neurodegenerative diseases YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2017-09-26 US disclosed
US-20160158243-A1 IGF-1R SIGNALING PATHWAY INHIBITORS USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2016-06-09 US disclosed
EP-3021944-A1 IGF-1R SIGNALING PATHWAY INHIBITORS USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Yissum Research Development Company of The Hebrew University of Jerusalem Ltd. (IL) 2016-05-25 EP disclosed
EP-2658847-B1 2-(2-PHENYLETHENYL)-1,3-BENZOTHIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER YISSUM RES DEV CO (IL) 2015-12-23 EP disclosed
US-9073880-B2 2-(2-phenylethenyl) 1,3-benzodiazepine derivatives useful for the treatment of cancer Yissum Research Development Company of the Hebrew University of Jeruselem Ltd. (IL) 2015-07-07 US disclosed
EP-2125712-B1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF NOVOTYR THERAPEUTICS LTD (IL) 2014-07-23 EP disclosed
EP-2658847-A1 2 - (2 - PHENYLETHENYL) - 1, 3 -BENZOTHIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER Novotyr Therapeutics Ltd. (IL) 2013-11-06 EP disclosed
US-20130274251-A1 2-(2-PHENYLETHENYL) 1,3-BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER NOVOTYR THERAPEUTICS LTD. (IL) 2013-10-17 US disclosed
WO-2012090204-A1 2 - (2 - PHENYLETHENYL) - 1, 3 -BENZOTHIAZINE DERIVATIVES USEFUL FOR THE TREATMENT CANCER NOVOTYR THERAPEUTICS LTD. (IL) 2012-07-05 WO disclosed
US-20120083528-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF NOVOTYR THERAPEUTICS LTD. (IL) 2012-04-05 US disclosed
US-8058309-B2 Protein kinase modulators and therapeutic uses thereof NOVOTYR THERAPEUTICS LTD. (IL) 2011-11-15 US disclosed
US-20100056635-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-03-04 US disclosed
CN-101652345-A Novel protein kinase modulators and its treatment are used NOVOTYR THERAPEUTICS LTD IL 2010-02-17 CN disclosed
EP-2125712-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF Novotyr Therapeutics Ltd. (IL) 2009-12-02 EP disclosed
WO-2008068751-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF NOVOTYR THERAPEUTICS LTD. (IL) 2008-06-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120083528-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF PTK2B, LTK, MAP3K20 ALDH1A1 4568/4885TSHR 974/4885KDM4E 1972/4885
US-10188659-B2 IGF-1R signaling pathway inhibitors useful in the treatment of neurodegenerative diseases IGF1R, IRS1, IGFBP1 ALDH1A1 4179/4885TSHR 945/4885KDM4E 4123/4885
US-20180064725-A1 IGF-1R SIGNALING PATHWAY INHIBITORS USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES IGF1R, IRS1, IGFBP1 ALDH1A1 4179/4885TSHR 945/4885KDM4E 4123/4885
US-20100056635-A1 NOVEL PROTEIN KINASE MODULATORS AND THERAPEUTIC USES THEREOF PTK2B, LTK, FRK ALDH1A1 4531/4885TSHR 1178/4885KDM4E 1830/4885
US-20130274251-A1 2-(2-PHENYLETHENYL) 1,3-BENZODIAZEPINE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER GRK3, OPRK1, PKN3 ALDH1A1 1787/4885TSHR 660/4885KDM4E 2134/4885
US-10342766-B2 6-shogaol derivatives and activities thereof NFE2L2, HMOX1, KEAP1 ALDH1A1 844/4885TSHR 4271/4885KDM4E 4445/4885
US-20160158243-A1 IGF-1R SIGNALING PATHWAY INHIBITORS USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES IGF1R, IRS1, IGFBP1 ALDH1A1 4179/4885TSHR 945/4885KDM4E 4123/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.