SCHEMBL4988977

SCHEMBL4988977

CC(C)=CCCCCC=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 1/20 0.44
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL9853370 0.97 TSHR (0.52) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL7727586 0.97 TSHR (0.52) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL9853372 0.97 TSHR (0.52) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL9853373 0.97 TSHR (0.52) TSHRHIF1AALDH1A1FAAHTRPV1
SCHEMBL10885356 0.94
SCHEMBL8078444 0.85 KMT2A (0.50) TSHRALDH1A1ALOX15KMT2AKDM4E
SCHEMBL2162531 0.82
SCHEMBL18092234 0.82 KMT2A (0.64) ALDH1A1ALOX15KMT2A
SCHEMBL8626072 0.82 KMT2A (0.64) ALDH1A1ALOX15KMT2A
SCHEMBL8626074 0.82 KMT2A (0.64) ALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403854-B2 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-08-02 US disclosed
US-20160159934-A1 USES OF CERTAIN PLATINOID ACCUMULATING PLANTS FOR USE IN ORGANIC CHEMICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2016-06-09 US disclosed
US-20160159934-A1 USES OF CERTAIN PLATINOID ACCUMULATING PLANTS FOR USE IN ORGANIC CHEMICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2016-06-09 US disclosed
EP-1489072-B1 PROCESS FOR ASYMMETRIC INTRAMOLECULAR (3+2) CYCLO-ADDITION OF HYDRAZONES JAPAN SCIENCE & TECH AGENCY (JP) 2016-01-20 EP disclosed
US-20140288319-A1 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-25 US disclosed
WO-2012074547-A2 STEROID COMPOUNDS AS RORγt MODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2012-06-07 WO disclosed
US-7351831-B2 Process for asymmetric intramolecular [3+2] cyclo-addition of hydrazones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-04-01 US disclosed
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-05 US disclosed
US-20050165237-A1 Process for asymmetric intramolecular [3+2] cyclo-addition of hydrazones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-28 US disclosed
EP-1489072-A1 PROCESS FOR ASYMMETRIC INTRAMOLECULAR (3+2) CYCLO-ADDITION OF HYDRAZONES Japan Science and Technology Agency (JP) 2004-12-22 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-20140288319-A1 CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS OXER1, OSTC, OXSR1 TSHR 2555/4885HIF1A 3949/4885ALDH1A1 1898/4885
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts OXER1, OSTC, OXSR1 TSHR 2555/4885HIF1A 3949/4885ALDH1A1 1898/4885
US-20050165237-A1 Process for asymmetric intramolecular [3+2] cyclo-addition of hydrazones HRH2, H1-2, HRH1 TSHR 2055/4885HIF1A 1586/4885ALDH1A1 2408/4885
US-20160159934-A1 USES OF CERTAIN PLATINOID ACCUMULATING PLANTS FOR USE IN ORGANIC CHEMICAL REACTIONS OAT, PPA1, ITPA TSHR 4224/4885HIF1A 1848/4885ALDH1A1 1264/4885

“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.