SCHEMBL473972

SCHEMBL473972

COc1ccc(C(C)=O)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 3/20 0.65
MAPK1 P28482 2/20 0.65
CYP3A4 P08684 1/20 0.65
TYK2 P29597 2/20 0.59
JAK2 O60674 1/20 0.59
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
FLT1 P17948 2/20 0.52
FLT4 P35916 2/20 0.52
KDR P35968 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 3/20 0.51
AVPR2 P30518 1/20 0.48
GPR27 Q9NS67 1/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAOB P27338 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL22407088 0.90 MAPK1 (0.53) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL7091405 0.86 RAB9A (0.65) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL13609519 0.86 MAPK1 (0.53) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL696853 0.85 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL3142619 0.85 TYK2 (0.55) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL295414 0.85 SMN1; SMN2 (0.57) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL18758272 0.83 ALDH1A1 (0.44) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL2468448 0.83 KDM4E (0.54) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL1180038 0.83 TYK2 (0.57) ALDH1A1HPGDMAPK1CYP3A4TYK2
SCHEMBL3032507 0.83 TYK2 (0.54) ALDH1A1HPGDMAPK1CYP3A4TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107216-A Process for the preparation of fenoldopam mesylate SICOR INC (US) 2008-01-16 CN claimed
CN-118026949-A Thiazole histone deacetylase inhibitor and preparation method and application thereof 济南大学 2024-05-14 CN disclosed
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
CN-111333663-A Cycloalkylthienopyrimidone compounds and preparation method and application thereof 天津医科大学 2020-06-26 CN disclosed
CN-109748785-A Two aromatic hydrocarbon substituted propenone class compounds of one kind and preparation method and application 山东大学 2019-05-14 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
EP-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 EP disclosed
WO-2002042261-A2 PROCESS FOR PREPARING α-(3-ARYLTHIO)-ACETOPHENONES ELI LILLY AND COMPANY (US) 2002-05-30 WO disclosed
US-5837728-A ACNE AND OTHER SKIN DISORDERS; ANTIAGING, ANTIWRINKLING AND WOUND HEALING AGENTS; SIDE EFFECT REDUCTION MOLECULAR DESIGN INTERNATIONAL (US) 1998-11-17 US disclosed
WO-1997032839-A9 9-CIS-RETINOIC ACID ESTERS AND AMIDES AND USES THEREOF 1998-07-16 WO disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
EP-0020970-A1 Alpha-chloroacetophenonoxime ethers and process for their preparation BASF Aktiengesellschaft (DE) 1981-01-07 EP 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3506/4885HPGD 3985/4885MAPK1 2706/4885

“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.