SCHEMBL96685

SCHEMBL96685

CC([O])OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RCE1 Q9Y256 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41

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
SCHEMBL15518976 0.88 SLC1A3 (0.42) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3701482 0.82 TSHR (0.48) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL360511 0.82 TSHR (0.48) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10784028 0.81 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL15003 0.81 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL1571975 0.81 TSHR (0.52) TSHRSLC1A3SLC1A2SLC1A1MEN1
Lithium SCHEMBL9504699 0.79 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MEN1
Ammonia Solution, Strong SCHEMBL21518155 0.79 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL9504704 0.79 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL94896 0.78 CA1 (0.46) TSHRALDH1A1IDO1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP claimed
CN-107252429-A New antiinflammatory 雷斯韦洛吉克斯公司 2017-10-17 CN claimed
WO-2013186612-A1 THE USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BET (BROMODOMAIN AND EXTRA TERMINAL DOMAIN) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-12-19 WO claimed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO claimed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US claimed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP claimed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP claimed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO claimed
EP-0415212-A1 Aryloxynaphthalene derivatives BAYER AG (DE) 1991-03-06 EP claimed
EP-0269806-B1 PHENYLPYRAZOLE CARBONIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS PLANT GROWTH REGULATORS AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP claimed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 US claimed
EP-0269806-A1 Phenylpyrazole carbonic acid derivatives, their preparation and use as plant growth regulators and antidotes HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP claimed
US-4747868-A Growth-regulating, fungicidal, and herbicidal cyclohexylimidazole and cyclohexenylimidazole derivatives, compositions, and methods of use therefor HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-31 US claimed
EP-0243918-A2 1-Phenyl-imidazole compounds, process for their preparation and their use as growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-04 EP claimed
EP-0219798-A1 1,2,5-Substituted imidazole compounds, method for their preparation and their use as growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-29 EP claimed
EP-0199206-A2 Cyclohexyl- and cyclohexenylimidazole compounds, process for their preparation and their use as plant-protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-29 EP claimed
EP-0185961-A2 1-Phenyl-imidazole-5-carboxylic acid derivatives, process for their preparation and their use as growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-02 EP claimed
US-4011320-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1977-03-08 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 TSHR 3086/4885SLC1A3 3725/4885SLC1A2 3748/4885
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4123/4885SLC1A3 3553/4885SLC1A2 3811/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 TSHR 3086/4885SLC1A3 3725/4885SLC1A2 3748/4885

“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.