SCHEMBL5897015

SCHEMBL5897015

COc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(OC)cccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
POLL Q9UGP5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30217868 1.00 ABCB1 (0.40) ABCB1POLLSMN1; SMN2ROCK2LMNA
SCHEMBL9177307 0.98 POLL (0.39) ABCB1POLLSMN1; SMN2ROCK2NR3C1
SCHEMBL5674190 0.95 POLL (0.39) ABCB1POLLLMNAMEN1KMT2A
SCHEMBL8960493 0.91 ABCB1 (0.35) ABCB1POLLSMN1; SMN2ROCK2LMNA
SCHEMBL4444992 0.90 SMN1; SMN2 (0.38) ABCB1SMN1; SMN2LMNANPSR1MEN1
SCHEMBL3023273 0.90 HPGD (0.40) ABCB1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29841836 0.90 HPGD (0.40) ABCB1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8149220 0.89 ROCK2 (0.36) ABCB1POLLSMN1; SMN2ROCK2LMNA
SCHEMBL28353796 0.88 HPGD (0.40) ABCB1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28439942 0.88 HTR7 (0.40) ABCB1SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-21 US 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-3153492-A1 NOVEL COMPOUND AND FRAGRANCE COMPOSITION CONTAINING SAME Takasago International Corporation (JP) 2017-04-12 EP disclosed
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-03-30 US 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
US-9284246-B2 Method for producing optically active 2,3-dihydrofarnesal TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-03-15 US disclosed
EP-2966054-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE Takasago International Corporation (JP) 2016-01-13 EP disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 EP disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 US disclosed
US-20030105341-A1 Process for producing optically active gamma-butyrolactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-06-05 US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 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
EP-0570764-B1 Asymmetric hydrogenation HOFFMANN LA ROCHE (CH) 2001-07-18 EP disclosed
US-5750690-A HYDROGENATION OF A 1,2-DIALKYLOXO-3-CARBOXY-3-PYRAZOLINE OR 1,2,5,6-TETRAHYDROPYRIDAZINE OR DERIVATIVE; INTERMEDIATES FOR THE HYPOTENSIVE AGENT, ?CILAZAPRIL? HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed
EP-0570764-A2 Asymmetric hydrogenation F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-11-24 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 (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-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A ABCB1 4330/4885POLL 547/4885SMN1; SMN2 3481/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 ABCB1 4295/4885POLL 942/4885SMN1; SMN2 2390/4885
US-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 ABCB1 4014/4885POLL 689/4885SMN1; SMN2 2938/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 ABCB1 4814/4885POLL 1138/4885SMN1; SMN2 4686/4885
US-20170022162-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE COMPOUND C9, C5, PRMT7 ABCB1 3882/4885POLL 3695/4885SMN1; SMN2 3976/4885
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME FZD7, TAS2R5, TAS2R40 ABCB1 4543/4885POLL 1565/4885SMN1; SMN2 3007/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS ABCB1 3451/4885POLL 3245/4885SMN1; SMN2 3637/4885

“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.