SCHEMBL1840829

SCHEMBL1840829

Oc1ccc2ccccc2c1-c1cccc2ccccc12.[Ti]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.52
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.48
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
PAK1 Q13153 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MCL1 Q07820 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 3/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
DNMT1 P26358 1/20 0.44
KDM4E B2RXH2 1/20 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
SCHEMBL29492615 1.00 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL214870 0.98 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL29360295 0.98 NSD2 (0.54) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL31410627 0.96 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
Hydrochloric Acid SCHEMBL31134043 0.96 PTPN22 (0.57) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL9060865 0.96 NSD2 (0.53) NSD2OPRM1OPRD1HKDC1PTPN22
Hydrochloric Acid SCHEMBL29492626 0.94 NSD2 (0.51) NSD2OPRM1OPRD1HKDC1PTPN22
SCHEMBL5181906 0.94 NSD2 (0.51) NSD2OPRM1OPRD1HKDC1PTPN22
Lithium Ion SCHEMBL7651479 0.92 NSD2 (0.50) NSD2OPRM1OPRD1HKDC1PTPN22
Hydroxyamine SCHEMBL28598930 0.92 NSD2 (0.50) NSD2OPRM1OPRD1HKDC1PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701642-B2 Method for producing optically active 5-hydroxy-3-ketoester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-11 US claimed
CN-104788462-B Chiral polysubstituted 4-hydroxychroman compound, and preparation method and application thereof 中国科学院化学研究所 2017-02-08 CN claimed
US-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-06-30 US claimed
CN-104788462-A Chiral polysubstituted 4-hydroxychroman compound, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-07-22 CN claimed
EP-1466905-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE OXOHEPTENOIC ACID ESTER NISSAN CHEMICAL IND LTD (JP) 2011-05-18 EP claimed
US-7064209-B2 Process for producing optically active oxoheptenoic acid ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-20 US claimed
EP-0982285-B1 Optically active halobutenediol ethers and dihydroxy ketones and methods for their preparation CENTRAL GLASS CO LTD (JP) 2005-11-02 EP claimed
US-20050054853-A1 Process for producing optically active oxoheptenoic acid ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-10 US claimed
EP-1466905-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE OXOHEPTENOIC ACID ESTER Nissan Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
US-6326520-B1 REACTING HALOGENATED ACETALDEHYDE WITH IN PRESENCE OF BINAPHTHOL-TITANIUM COMPLEX CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US claimed
EP-0982285-A1 Optically active halobutenediol ethers and dihydroxy ketones and methods for their preparation Central Glass Company, Limited (JP) 2000-03-01 EP claimed
EP-0614871-B1 Process for producing optically active beta-hydroxyketone TAKASAGO PERFUMERY CO LTD (JP) 1998-06-10 EP claimed
US-5434289-A Process for producing optically active β-hydroxyketone TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-07-18 US claimed
EP-0494771-B1 Process for producing optically active dihydropyran derivatives TAKASAGO PERFUMERY CO LTD (JP) 1995-04-05 EP claimed
EP-0614871-A1 Process for producing optically active beta-hydroxyketone Takasago International Corporation (JP) 1994-09-14 EP claimed
EP-0353053-B1 Catalytic process for producing optically active alpha-hydroxycarboxylates TAKASAGO PERFUMERY CO LTD (JP) 1993-10-20 EP claimed
US-5155240-A Process for producing optically active dihydropyran derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-10-13 US claimed
EP-0494771-A1 Process for producing optically active dihydropyran derivatives Takasago International Corporation (JP) 1992-07-15 EP claimed
US-4965398-A Process for producing optically active alpha-hydroxycarboxylates TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-10-23 US claimed
EP-0353053-A2 Catalytic process for producing optically active alpha-hydroxycarboxylates Takasago International Corporation (JP) 1990-01-31 EP 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 (2 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-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER CYP51A1, HSD3B1, CYP3A5 NSD2 4247/4885OPRM1 1512/4885OPRD1 628/4885
US-20050054853-A1 Process for producing optically active oxoheptenoic acid ester SQLE, APEH, THOP1 NSD2 4509/4885OPRM1 903/4885OPRD1 277/4885

“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.