SCHEMBL270256

SCHEMBL270256

CC(C)(C)c1cccc(OCCN2CCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LTA4H P09960 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
BACE1 P56817 1/20 0.59
PSMB1 P20618 2/20 0.58
PSMB5 P28074 2/20 0.58
PSMB2 P49721 2/20 0.58
HTR1A P08908 1/20 0.58
HTR7 P34969 1/20 0.58
HRH3 Q9Y5N1 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.55

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
SCHEMBL13761627 0.99 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2LTA4HMEN1
SCHEMBL12780023 0.90 KMT2A (0.64) KDM4EALDH1A1SMN1; SMN2LTA4HMEN1
SCHEMBL13761603 0.87 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2LTA4HMEN1
SCHEMBL11937211 0.87 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14970473 0.84 LTA4H (0.81) KDM4EALDH1A1SMN1; SMN2LTA4HKMT2A
SCHEMBL11244902 0.84 LTA4H (0.81) KDM4EALDH1A1SMN1; SMN2LTA4HKMT2A
SCHEMBL11947324 0.83 KDM4E (0.74) KDM4ELTA4HMEN1KMT2APSMB1
Hydrochloric Acid SCHEMBL14969107 0.83 LTA4H (0.79) KDM4EALDH1A1SMN1; SMN2LTA4HKMT2A
SCHEMBL270794 0.81 KDM4E (1.00) KDM4ELTA4HMEN1KMT2APSMB1
SCHEMBL13165290 0.81 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2HRH3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 US disclosed
US-10544151-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-01-28 US disclosed
US-10351570-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-07-16 US disclosed
US-20190023710-A1 NOVEL COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2019-01-24 US disclosed
US-9988386-B2 Compounds for treatment of diseases of abnormal angiogenesis or aberrant growth factors and uses thereof Kata Pharmaceuticals, Inc. (US) 2018-06-05 US disclosed
US-9988386-B2 Compounds for treatment of diseases of abnormal angiogenesis or aberrant growth factors and uses thereof Kata Pharmaceuticals, Inc. (US) 2018-06-05 US disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-20160137646-A1 Novel Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-10-07 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-13 US disclosed
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-13 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US 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 (13 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK KDM4E 1356/4885ALDH1A1 3662/4885SMN1; SMN2 3530/4885
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives ARSA, BMP2, BMP1 KDM4E 1873/4885ALDH1A1 721/4885SMN1; SMN2 1743/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885ALDH1A1 3235/4885SMN1; SMN2 4746/4885
US-20160137646-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA KDM4E 3246/4885ALDH1A1 1517/4885SMN1; SMN2 4782/4885
US-20190023710-A1 NOVEL COMPOUNDS AND USES THEREOF RB1, VEGFA, UACA KDM4E 3496/4885ALDH1A1 1460/4885SMN1; SMN2 4828/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KDM4E 1689/4885ALDH1A1 3235/4885SMN1; SMN2 4746/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 KDM4E 1689/4885ALDH1A1 3235/4885SMN1; SMN2 4746/4885
US-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA KDM4E 3246/4885ALDH1A1 1517/4885SMN1; SMN2 4782/4885
US-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA KDM4E 3246/4885ALDH1A1 1517/4885SMN1; SMN2 4782/4885
US-10544151-B2 Compounds and uses thereof RB1, VEGFA, KDR KDM4E 3193/4885ALDH1A1 1409/4885SMN1; SMN2 4782/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 KDM4E 3200/4885ALDH1A1 1477/4885SMN1; SMN2 4744/4885
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives CYP24A1, SOST, ACP3 KDM4E 2169/4885ALDH1A1 537/4885SMN1; SMN2 2523/4885
US-10351570-B2 Compounds and uses thereof RB1, VEGFA, FLT4 KDM4E 3200/4885ALDH1A1 1477/4885SMN1; SMN2 4744/4885

“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.