SCHEMBL3402990

SCHEMBL3402990

COC(=O)C(CN)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 2/20 0.46
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.44
ROCK1 Q13464 2/20 0.44
MYLK4 Q86YV6 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44

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
SCHEMBL18382129 1.00 KMT2A (0.58) KMT2AESR1ESR2MEN1GABBR2
SCHEMBL18382201 1.00 KMT2A (0.58) KMT2AESR1ESR2MEN1GABBR2
Hydrochloric Acid SCHEMBL114327 0.98 KMT2A (0.56) KMT2AESR1ESR2MEN1GABBR2
Hydrochloric Acid SCHEMBL3999039 0.89 CHRNB2 (0.47) KMT2AESR1ESR2ALDH1A1PTGS2
SCHEMBL27406112 0.86 CTSS (0.49) KMT2AMEN1PTGS1PTGS2
SCHEMBL1094245 0.86 KMT2A (0.55) KMT2AESR1ESR2MEN1TSHR
Hydrochloric Acid SCHEMBL1092749 0.84 KMT2A (0.53) KMT2AESR1ESR2MEN1TSHR
SCHEMBL8912908 0.84 MMP8 (0.53) KMT2AMEN1GABBR2GABBR1TSHR
SCHEMBL8912131 0.84 ESR1 (0.68) ESR1ESR2TSHRTAAR1
SCHEMBL512129 0.84 MMP8 (0.53) KMT2AMEN1GABBR2GABBR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638538-A Cleanup additive for oilfield acidizing and fracturing and preparation method thereof 寿光新海能源技术有限公司 2024-09-13 CN disclosed
CN-117700643-A Polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2024-03-15 CN disclosed
CN-117700642-A Dispersed polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2024-03-15 CN disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 EP disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
CN-109097117-B Energy-saving and environment-friendly gasoline combustion improver and preparation method thereof 北京燧火科技有限公司 2021-07-06 CN disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
CN-1262270-A Aryl and heteroaryl cyclopropyl oximidoether and its application as bactericide and pesticide ROHM & HAAS (US) 2000-08-09 CN disclosed
CN-1262269-A Aryl and heteroaryl cyclopropyl oximidoether and its application as bactericide and pesticide ROHM & HAAS (US) 2000-08-09 CN disclosed
CN-1216943-A Method of cleaning carpets PROCTER & GAMBLE (US) 1999-05-19 CN disclosed
CN-1215329-A Personal cleansing bar compositions containing perfume releasing complexes PROCTER & GAMBLE (US) 1999-04-28 CN disclosed
CN-1206401-A Process for preparing 2-(2-methylphenyl)-3-methoxyacrylic acid methylester BASF AG (DE) 1999-01-27 CN disclosed
CN-1204637-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1999-01-13 CN disclosed
CN-1175575-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1998-03-11 CN disclosed
CN-1171392-A Benzyloxy substitutedaromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1998-01-28 CN disclosed
CN-1143637-A Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM & HAAS (US) 1997-02-26 CN disclosed
CN-1128758-A Pyridazinone and application as fungicide ROHM & HAAS (US) 1996-08-14 CN 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A KMT2A 86/4885ESR1 4769/4885ESR2 3977/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KMT2A 921/4885ESR1 3276/4885ESR2 340/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 KMT2A 3024/4885ESR1 1817/4885ESR2 1478/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 KMT2A 3013/4885ESR1 4179/4885ESR2 2466/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KMT2A 3013/4885ESR1 4179/4885ESR2 2466/4885

“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.