SCHEMBL3518097

SCHEMBL3518097

C=CCC(CC)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
THRB P10828 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
SCHEMBL9318291 0.95 TSHR (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
Alcohol SCHEMBL7187474 0.86 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL45388 0.83 TSHR (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL4556468 0.83 TSHR (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL1539720 0.83 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL24603372 0.83 TSHR (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL8343493 0.83 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL19286829 0.83 SMN1; SMN2 (0.32) TSHRALDH1A1SMN1; SMN2
Allyl Alcohol SCHEMBL27586989 0.81 TSHR (0.50) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL7127962 0.81 TSHR (0.33) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
JP-62199641-A None JP disclosed
JP-2296884-A None JP disclosed
JP-5222333-A None JP disclosed
JP-4335072-A None JP disclosed
JP-60199049-A None JP disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
JP-H05222333-A PRINTING INK BINDER AND PRINTING INK COMPOSITION ARAKAWA CHEM IND CO LTD 1993-08-31 JP disclosed
JP-H04335072-A COATING MATERIAL ARAKAWA CHEM IND CO LTD 1992-11-24 JP disclosed
JP-H02296884-A POLYURETHANE ADHESIVE CHISSO CORP 1990-12-07 JP disclosed
JP-S62199641-A POLYVINYL CHLORIDE RESIN COMPOSITION CHISSO CORP 1987-09-03 JP disclosed
JP-S60199049-A POLYESTER PLASTICIZER CHISSO CORP 1985-10-08 JP disclosed
US-4150237-A INTERMEDIATES IN THE FORMATION OF EPOXIDES THE DOW CHEMICAL COMPANY (US) 1979-04-17 US disclosed
US-4126746-A Halohydrin thioethers and method of preparation THE DOW CHEMICAL COMPANY (US) 1978-11-21 US disclosed
US-3959103-A Photocuring of unsaturated polyester/polythiol compositions W. R. GRACE & CO. (US) 1976-05-25 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 (1 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR TSHR 238/4885ALDH1A1 4808/4885TP53 4749/4885

“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.