SCHEMBL4929989

SCHEMBL4929989

CCCCCC=CC=CCCCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
ALDH1A1 P00352 1/20 0.71
FASN P49327 1/20 0.60
FAAH O00519 4/20 0.55
TRPV1 Q8NER1 2/20 0.55
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4929983 1.00 TSHR (0.71) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL887672 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL3678163 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL1983165 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL23040319 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL23040318 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL23040320 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL23040317 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL1983164 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1
SCHEMBL8777247 0.97 TSHR (0.68) TSHRALDH1A1FASNFAAHTRPV1

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-20020160027-A1 Conjugate, its preparation and use MERCK PATENT GMBH (DE) 2002-10-31 US claimed
US-3940340-A Peracylated polyamines compatible with optical brighteners as activators for inorganic peroxo compounds HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-24 US claimed
WO-2014093723-A2 GROUP-ASSISTANT-PURIFICATION (GAP) SYNTHESIS OF VELCADE, DIMERIC ANALOGS, AND AMINO COMPOUNDS NANJING UNIVERSITY (CN) 2014-06-19 WO disclosed
US-20080025940-A1 Administration of 3-sulfanylpropanamide compounds for stimulating hair and eyelash growth and/or for stopping the loss and/or limiting the depigmentation thereof L'OREAL (FR) 2008-01-31 US disclosed
EP-0967200-A1 4,4-Diarylbutadienes as water soluble, photostable UV-filters for cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 1999-12-29 EP disclosed
US-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed
US-4188274-A DECARBOXYLATION STANDARD OIL COMPANY (INDIANA) (US) 1980-02-12 US disclosed
US-4174447-A SILVER SALTS OF CARBOXY ACIDS STANDARD OIL COMPANY (INDIANA) (US) 1979-11-13 US disclosed
US-4001130-A DETERGENTS, SUBSTITUTED BUTADIENES HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3972877-A Butadiene derivatives, process for their preparation and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DT) 1976-08-03 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 (2 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-20020160027-A1 Conjugate, its preparation and use TYR, MPO, DDT TSHR 3767/4885ALDH1A1 71/4885FASN 1539/4885
US-20080025940-A1 Administration of 3-sulfanylpropanamide compounds for stimulating hair and eyelash growth and/or for stopping the loss and/or limiting the depigmentation thereof KRT18, TYR, MC1R TSHR 959/4885ALDH1A1 1607/4885FASN 861/4885

“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.