SCHEMBL697978

SCHEMBL697978

Cc1ccc(P(c2ccc(C)cc2)c2ccc3c(c2-c2c(P(c4ccc(C)cc4)c4ccc(C)cc4)ccc4c2OCO4)OCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGS2 P35354 2/20 0.35
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
NQO2 P16083 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL29362227 0.87 NQO2 (0.37) HSP90AA1HSP90AB1NPC1MAPTRAB9A
SCHEMBL29565955 0.87 NQO2 (0.37) HSP90AA1HSP90AB1NPC1MAPTRAB9A
SCHEMBL698217 0.87 NQO2 (0.37) HSP90AA1HSP90AB1NPC1MAPTRAB9A
SCHEMBL6326361 0.87 LMNA (0.35) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3108310 0.84 NQO2 (0.35) HSP90AA1HSP90AB1NPC1MAPTRAB9A
SCHEMBL8336073 0.84 SLC6A3 (0.36) HSP90AA1HSP90AB1NPC1MAPTRAB9A
SCHEMBL2076685 0.83 ABCG2 (0.39) HSP90AA1HSP90AB1PTGS2TXNRD1TXNRD3
SCHEMBL27899 0.83 ABCG2 (0.39) HSP90AA1HSP90AB1PTGS2TXNRD1TXNRD3
SCHEMBL29352284 0.83 ABCG2 (0.39) HSP90AA1HSP90AB1PTGS2TXNRD1TXNRD3
SCHEMBL1043409 0.83 KMT2A (0.39) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423290-B1 COMPOSITION COMPRISING 1-MENTHYL (3S)-3-HYDROXYBUTANOATE FOR STIMULATING SENSE TAKASAGO PERFUMERY CO LTD (JP) 2019-05-22 EP disclosed
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
US-9796678-B2 Method for manufacturing optically active compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-24 US disclosed
EP-2796444-B1 METHOD FOR PRODUCING HIGH-PURITY CERAMIDE TAKASAGO PERFUMERY CO LTD (JP) 2017-03-15 EP disclosed
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-26 US disclosed
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-02 US disclosed
EP-2966054-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE Takasago International Corporation (JP) 2016-01-13 EP disclosed
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-31 US disclosed
US-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-11-19 US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 EP disclosed
US-6492545-B2 Process for producing optically active alcohol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-12-10 US disclosed
US-20020035283-A1 Process for producing optically active alcohol TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1176135-A1 Process for producing optically active alcohol Takasago International Corporation (JP) 2002-01-30 EP disclosed
US-6342644-B1 MULTISTAGE PROCESS OF HYDROGENATION WITH PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-29 US disclosed
US-20020007094-A1 Method for producing 1-menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-17 US disclosed
EP-1153908-A2 Method for producing 1-menthol Takasago International Corporation (JP) 2001-11-14 EP disclosed
US-6043380-A FOR ASYMMETRICALLY HYDROGENATING 4-METHYLENE-2-OXETANONE INTO OPTICALLY ACTIVE 4-METHYL-2-OXETANONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-03-28 US disclosed
EP-0955303-A2 Ruthenium-iodo-optically active phosphine complex Takasago International Corporation (JP) 1999-11-10 EP disclosed
US-5872273-A LIGANDS FOR FORMING HYDROGENATION CATALYST COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-02-16 US 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 (7 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-20150329452-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ISOPULEGOL AND OPTICALLY ACTIVE MENTHOL ACSL3, ACSL6, ALOX5 HSP90AA1 2163/4885HSP90AB1 2057/4885NPC1 3370/4885
US-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A HSP90AA1 2288/4885HSP90AB1 2730/4885NPC1 2408/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 HSP90AA1 1562/4885HSP90AB1 1651/4885NPC1 3772/4885
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND C9, C5, PRMT7 HSP90AA1 3898/4885HSP90AB1 4102/4885NPC1 1116/4885
US-20020035283-A1 Process for producing optically active alcohol ADH1A, ADH5, ADH1C HSP90AA1 2880/4885HSP90AB1 3304/4885NPC1 3437/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS HSP90AA1 2813/4885HSP90AB1 2462/4885NPC1 176/4885
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE ALDH3A1, ALDH1A2, ADH1A HSP90AA1 2288/4885HSP90AB1 2730/4885NPC1 2408/4885

“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.