SCHEMBL3940105

SCHEMBL3940105

Nc1cccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c(N)cccc34)c(P(c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KEAP1 Q14145 2/20 0.41
▸ NR4A2 P43354 1/20 0.38
▸ IDO1 P14902 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ KAT8 Q9H7Z6 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ NSD2 O96028 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPC1 O15118 2/20 0.33

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
SCHEMBL8723810 0.92 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL5425959 0.85 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL14596146 0.80 CYP3A4 (0.39) TDP1CYP3A4KMT2AMEN1PARP1
SCHEMBL3425344 0.79 CYP3A4 (0.38) TDP1CYP3A4DRD1
SCHEMBL5425957 0.78 LOXL2 (0.35) TDP1CYP3A4DRD1
SCHEMBL6053500 0.76 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL18319527 0.76 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4HPGDTSHR
SCHEMBL14596133 0.75 CA1 (0.38) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL5107 0.73 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL146878 0.73 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRHSD17B10

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990318-A Soluble polyester-supported chiral phosphines THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 1999-11-23 — — US claimed
EP-0258967-B2 Process for producing optically active alcohols TAKASAGO PERFUMERY CO LTD (JP) 1996-08-21 — — EP claimed
EP-0272787-B1 CATALYTIC PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID Takasago International Corporation (JP) 1992-05-06 — — EP claimed
US-4962230-A RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE COMPLEX HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-10-09 — — US claimed
EP-0272787-A2 Catalytic production of optically active carboxylic acid Takasago International Corporation (JP) 1988-06-29 — — EP claimed
JP-62178594-A — — None — — JP disclosed
EP-1409493-B1 METHOD FOR PRODUCING NON-CHIRAL ORGANIC COMPOUNDS CONTAINING OPTICALLY ACTIVE HYDROXY GROUPS ARLT DIETER (DE) 2009-04-15 — — EP disclosed
US-6787676-B2 REACTING A CARBONYL COMPOUND WITH HYDROGEN IN THE PRESENCE OF A CATALYST, A BASE AND OPTIONALLY A DIAMINE, WHERE THE CATALYST IS A SUPPORT-BONDED RUTHENIUM(II) COMPLEX BISPHOSPHINE LIGAND AND A DIAMINE LIGAND STUDIENGESELLSCHAFT KOHLE MBH (DE) 2004-09-07 — — US disclosed
US-20020111515-A1 Reacting a carbonyl compound with hydrogen in the presence of a catalyst, a base and optionally a diamine, where the catalyst is a support-bonded ruthenium(II) complex bisphosphine ligand and a diamine ligand STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-08-15 — — US disclosed
EP-0855390-B1 A process for producing optically active pyrrolidine derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-10-04 — — EP disclosed
US-5942629-A HYDROGENATING 3-ACETYL-1-BENZYL-2-PYRROLIDINONE IN PRESENCE OF A COMPLEX FORMED FROM BIDENTATE PHOSPHINE AND RUTHENIUM CATALYST TO PRODUCE INTERMEDIATE, REDUCING THE INTERMEDIATE, MESYLATING OR TOSYLATING THE PRODUCT, FINALLY METHYLAMINATING TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 — — US disclosed
US-5587510-A ASYMMETRICAL HYDROGENATION USING RUTHENIUM-PHOPSHINE COMPLEX AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-24 — — US disclosed
EP-0258967-B2 Process for producing optically active alcohols TAKASAGO PERFUMERY CO LTD (JP) 1996-08-21 — — EP disclosed
US-5204460-A Reacting azetidinone compound with acetic acid and oxidizing agent in the presence of ruthenium catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-04-20 — — US disclosed
EP-0272787-B1 CATALYTIC PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID Takasago International Corporation (JP) 1992-05-06 — — EP disclosed
EP-0258967-A2 Process for producing optically active alcohols Takasago Perfumery Co., Ltd. (JP) 1988-03-09 — — EP disclosed
US-4705895-A METAL COMPLEXES AS ASYMMETRIC SYNTHESES TAKASAGO PERFUMERY CO., LTD. (JP) 1987-11-10 — — US disclosed
EP-0235450-A1 Phosphine compounds for complex catalysts for asymmetric syntheses Takasago Perfumery Co., Ltd. (JP) 1987-09-09 — — EP disclosed
JP-S62178594-A NOVEL PHOSPHINE COMPOUND TAKASAGO CORP 1987-08-05 — — JP 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-20020111515-A1 Reacting a carbonyl compound with hydrogen in the presence of a catalyst, a base and optionally a diamine, where the catalyst is a support-bonded ruthenium(II) complex bisphosphine ligand and a diamine ligand PDK1, ADH1A, HRH3 ALDH1A1 218/4885TDP1 3989/4885CYP3A4 2449/4885

“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.

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