SCHEMBL9967708

SCHEMBL9967708

COc1ccc(/C=C/C(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 3/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
MAPT P10636 2/20 0.59
ALOX15 P16050 1/20 0.59
TRPA1 O75762 1/20 0.59
RELA Q04206 1/20 0.59
CYP1A2 P05177 3/20 0.59
CYP1A1 P04798 3/20 0.59
CYP1B1 Q16678 3/20 0.59
ESR1 P03372 2/20 0.57
PTGS2 P35354 2/20 0.57
TUBB4A P04350 2/20 0.57
TUBB P07437 2/20 0.57
TUBA3C P0DPH7 2/20 0.57

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
SCHEMBL24434700 1.00 CYP3A4 (0.61) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL30953662 0.87 CYP3A4 (0.57) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL10950395 0.85 CYP3A4 (0.64) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL21593812 0.85 CYP3A4 (0.55) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL10950397 0.85 CYP3A4 (0.64) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL631998 0.83 RELA (0.81) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL699457 0.83 RELA (0.81) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL13790336 0.83 RELA (0.81) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL4881152 0.83 RELA (0.81) CYP3A4ALDH1A1KDM4ELMNATP53
SCHEMBL14950253 0.83 RELA (0.81) CYP3A4ALDH1A1KDM4ELMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191549-A1 FLUORESCENT PROBE FOR LABELING M1 MACROPHAGES, AND M1 MACROPHAGE MONITORING SYSTEM USING SAME 기초과학연구원 2023-10-05 WO disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
CN-108383694-B Preparation method of cyclobutane derivative 华中科技大学 2020-09-18 CN disclosed
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 US disclosed
US-20200188535-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION 2020-06-18 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20080038213-A1 Uv Filters MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (10 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-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET CYP3A4 4589/4885ALDH1A1 4214/4885KDM4E 1965/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP3A4 204/4885ALDH1A1 365/4885KDM4E 1193/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP3A4 24/4885ALDH1A1 452/4885KDM4E 56/4885
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 CYP3A4 303/4885ALDH1A1 49/4885KDM4E 509/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G CYP3A4 3223/4885ALDH1A1 4817/4885KDM4E 4710/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A CYP3A4 2857/4885ALDH1A1 2947/4885KDM4E 4214/4885
US-20080038213-A1 Uv Filters ERCC4, ERCC1, ERCC5 CYP3A4 219/4885ALDH1A1 334/4885KDM4E 2234/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 CYP3A4 4261/4885ALDH1A1 1533/4885KDM4E 387/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CYP3A4 4261/4885ALDH1A1 1533/4885KDM4E 387/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP3A4 24/4885ALDH1A1 452/4885KDM4E 56/4885

“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.