SCHEMBL2646656

SCHEMBL2646656

CC(C)CBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 1/20 0.57
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
AOC3 Q16853 1/20 0.34
TAAR1 Q96RJ0 5/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DRD1 P21728 2/20 0.32

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
SCHEMBL2647450 0.85 TDP1 (0.50) TDP1CYP3A4ESR1ESR2KDM4E
Bromoethane SCHEMBL43961 0.82 TDP1 (0.67) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1374996 0.82 TDP1 (0.67) TDP1CYP3A4ESR1ESR2KDM4E
Dibromomethane SCHEMBL5329477 0.82 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
Dibromomethane SCHEMBL7950072 0.82 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL8532623 0.81 CYP3A4 (0.46) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL9432475 0.81 CYP3A4 (0.57) TDP1CYP3A4ESR1ESR2KDM4E
1,2-Dibromoethane SCHEMBL28837174 0.79 TDP1 (0.71) TDP1CYP3A4ESR1ESR2KDM4E
Bromomethane SCHEMBL3346 0.79 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E
Bromomethane SCHEMBL28892441 0.79 TDP1 (0.80) TDP1CYP3A4ESR1ESR2KDM4E

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-110366571-B Modified resin and curable resin composition containing the same 协立化学产业株式会社 2020-09-18 CN disclosed
CN-110366570-B (meth) acrylate resin and curable resin composition containing same 协立化学产业株式会社 2020-09-15 CN disclosed
CN-110366570-A (methyl) acrylate and hardening resin composition comprising (methyl) acrylate 协立化学产业株式会社 2019-10-22 CN disclosed
CN-110366571-A Modified resin and hardening resin composition comprising the modified resin 协立化学产业株式会社 2019-10-22 CN disclosed
EP-3013782-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-10-03 EP disclosed
CN-105085869-B The liquid crystal panel encapsulant that drips 协立化学产业株式会社 2017-08-29 CN disclosed
US-9708570-B2 Organic compounds Givaudan, S.A. (CH) 2017-07-18 US disclosed
US-20160369205-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-12-22 US disclosed
EP-3013782-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2016-05-04 EP disclosed
CN-105085869-A Partially esterified epoxy resin and process for production thereof KYORITSU CHEMICAL CO LTD 2015-11-25 CN disclosed
WO-2014205782-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-12-31 WO disclosed
CN-102666635-A Partially esterified epoxy resin and method for producing the same KYORITSU CHEMICAL CO LTD 2012-09-12 CN disclosed
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed
US-4267363-A Intermediates for a sex pheramone for yellow scale ZOECON CORPORATION (US) 1981-05-12 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 (1 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-20160369205-A1 ORGANIC COMPOUNDS PAH, AQP3, HPD TDP1 3337/4885CYP3A4 227/4885ESR1 1592/4885

“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.