SCHEMBL5855797

SCHEMBL5855797

C#CCCCCCCC=C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.58
TSHR P16473 2/20 0.46
TRPA1 O75762 3/20 0.41
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCC4 O15439 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LPAR3 Q9UBY5 2/20 0.34
LMNA P02545 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7286061 1.00 USP2 (0.58) USP2TSHRTRPA1MAPTCYP1A2
SCHEMBL6258389 1.00 USP2 (0.58) USP2TSHRTRPA1MAPTCYP1A2
SCHEMBL5857720 1.00
SCHEMBL11471274 1.00 USP2 (0.58) USP2TSHRTRPA1MAPTCYP1A2
SCHEMBL3920827 0.97
Hydrochloric Acid SCHEMBL10700530 0.92 USP2 (0.51) USP2TSHRTRPA1MAPTCYP1A2
Hydrochloric Acid SCHEMBL10700534 0.92 USP2 (0.51) USP2TSHRTRPA1MAPTCYP1A2
SCHEMBL3934528 0.89
SCHEMBL17965765 0.83 USP2 (0.45) USP2TSHRTRPA1MAPTABCC4
SCHEMBL17965766 0.83 USP2 (0.45) USP2TSHRTRPA1MAPTABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668904-B1 FABRIC SCENTING METHOD FIRMENICH & CIE (CH) 2001-11-07 EP claimed
EP-0668904-A1 FABRIC SCENTING METHOD FIRMENICH SA (CH) 1995-08-30 EP claimed
WO-1995004809-A1 FABRIC SCENTING METHOD FIRMENICH S.A. (CH) 1995-02-16 WO claimed
CN-105859529-B Method for producing asymmetric conjugated diyne compound and method for producing Z, Z-conjugated diene compound using the same 信越化学工业株式会社 2020-10-16 CN disclosed
EP-2781599-B1 NUCLEIC ACID FRAGMENT BINDING TO TARGET PROTEIN TAGCYX BIOTECHNOLOGIES (JP) 2019-05-08 EP disclosed
US-10000775-B2 Biosynthesis of 1-undecene and related terminal olefins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-19 US disclosed
US-9873879-B2 Nucleic acid fragment binding to target protein TAGCYX BIOTECHNOLOGIES (JP) 2018-01-23 US disclosed
EP-3053906-B1 METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME SHINETSU CHEMICAL CO (JP) 2017-12-27 EP disclosed
US-9845304-B2 Method for producing asymmetric conjugated diyne compound and method for producing Z,Z-conjugated diene compound using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-12-19 US disclosed
US-20170073683-A1 NUCLEIC ACID FRAGMENT BINDING TO TARGET PROTEIN TAGCYX BIOTECHNOLOGIES (JP) 2017-03-16 US disclosed
US-9540650-B2 Nucleic acid fragment binding to target protein TAGCYX BIOTECHNOLOGIES (JP) 2017-01-10 US disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 EP disclosed
US-5039674-A Calcium antagonistics YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-13 US disclosed
US-4782160-A CALCIUM RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed
EP-0276552-A1 1,4-dihydropyridine derivatives and their production YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-03 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB USP2 4665/4885TSHR 1666/4885TRPA1 1337/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE USP2 4751/4885TSHR 2487/4885TRPA1 1277/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC USP2 4660/4885TSHR 2672/4885TRPA1 1795/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC USP2 4660/4885TSHR 2672/4885TRPA1 1795/4885

“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.