SCHEMBL616173

SCHEMBL616173

C=CCc1cccc(CO)c1CC=C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
AKR1B1 P15121 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PIM1 P11309 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL18136 0.89 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL4981097 0.84 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL4170461 0.83 GABRA1 (0.50) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL10625097 0.81 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
Ammonia Solution, Strong SCHEMBL11203810 0.81 GABRA1 (0.48) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL1355189 0.80 GABRA1 (0.52) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL10457216 0.80 GABRA1 (0.53) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL9672897 0.79 GABRA1 (0.47) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL2120821 0.79 GABRA1 (0.68) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL254084 0.79 GABRA1 (0.57) GABRA1GABRB2AKR1B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59152358-A None JP disclosed
CN-117820076-A Method for preparing 2, 6-dichlorotoluene by micro-channel reactor 盐城师范学院 2024-04-05 CN disclosed
CN-114773145-A Method for synthesizing 2, 6-dichlorotoluene by directionally chlorinating o-chlorotoluene with novel composite catalyst 南京工业大学 2022-07-22 CN disclosed
CN-112513027-A Indazole amine derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2021-03-16 CN disclosed
WO-2020035019-A1 INDAZOLE AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 浙江海正药业股份有限公司 2020-02-20 WO disclosed
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 US disclosed
EP-2470020-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME The Regents of the University of Michigan (US) 2012-07-04 EP disclosed
US-8188072-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-29 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 US disclosed
WO-2011035124-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
JP-S59152358-A PREPARATION OF N-(ALPHA,ALPHA-DIALKYLBENZYL)PHENYLACETAMIDE DERIVATIVE IDEMITSU KOSAN CO LTD 1984-08-31 JP 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 (5 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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB GABRA1 210/4885GABRB2 231/4885AKR1B1 103/4885
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B GABRA1 18/4885GABRB2 49/4885AKR1B1 356/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB GABRA1 210/4885GABRB2 231/4885AKR1B1 103/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB GABRA1 210/4885GABRB2 231/4885AKR1B1 103/4885
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME TPH1, GABBR1, RORC GABRA1 22/4885GABRB2 55/4885AKR1B1 186/4885

“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.