SCHEMBL7008435

SCHEMBL7008435

CC(C)CC(C#N)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
ADRB1 P08588 2/20 0.45
ADRA1A P35348 2/20 0.45
MIF P14174 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2B P41595 1/20 0.45
HIF1A Q16665 4/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRB3 P13945 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD1 P21728 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL28049229 0.79 ESR1 (0.53) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL9848442 0.79 ESR1 (0.53) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL5198423 0.78 TRPA1 (0.43) ESR1ESR2TSHRRAB9ALMNA
Hydrochloric Acid SCHEMBL10599419 0.78 ESR1 (0.51) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL7715791 0.78 CTSL (0.34) TSHRSLC6A3LMNAKDM4ECTSL
SCHEMBL7371959 0.78 KMT2A (0.47) SLC6A3KMT2A
SCHEMBL7554338 0.77 ESR1 (0.58) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL26061384 0.77 ADRB1 (0.52) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL1884246 0.77 ESR1 (0.58) ESR1ESR2ADRB1ADRA1AMIF
SCHEMBL11019443 0.75 ESR1 (0.56) ESR1ESR2TSHRSLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220373-A1 Therapeutic uses of PPAR mediators AVENTIS PHARMACEUTICALS PRODUCTS INC. 2003-11-27 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
CN-1302206-A Therapeutic uses of quinoline derivatives HOECHST MEDICINE PRODUCT CO (US) 2001-07-04 CN disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO 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-20030220373-A1 Therapeutic uses of PPAR mediators PPARG, PPARA, PPARD ESR1 567/4885ESR2 101/4885ADRB1 96/4885

“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.