SCHEMBL6317619

SCHEMBL6317619

COCCOCCOc1cccc(C2CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
ADRA1A P35348 2/20 0.42
HTR1A P08908 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ADRA1D P25100 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
TRPA1 O75762 2/20 0.39
HTR2A P28223 2/20 0.38
GRM2 Q14416 1/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3076838 0.82 TSHR (0.45) TSHRALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL16668774 0.79 TSHR (0.55) TSHRALDH1A1SMN1; SMN2HRH3KDM4E
SCHEMBL18808320 0.79 TP53 (0.49) TSHRALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL936624 0.76 HTR2C (0.54) TSHRKDM4EHTR2AHTR2CHTR2B
SCHEMBL6493903 0.76 HTR2C (0.54) TSHRKDM4EHTR2AHTR2CHTR2B
SCHEMBL7784267 0.76 HTR2C (0.54) TSHRKDM4EHTR2AHTR2CHTR2B
SCHEMBL30622763 0.76 GAA (0.43) TSHRALDH1A1ADRA1AHRH3KDM4E
SCHEMBL22111674 0.76 GAA (0.43) TSHRALDH1A1ADRA1AHRH3KDM4E
SCHEMBL22297588 0.75 KDM4E (0.52) TSHRALDH1A1HRH3KDM4EHTT
SCHEMBL981631 0.75 ALDH1A1 (0.40) TSHRALDH1A1TP53CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
US-20030055261-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-03-20 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-20030055261-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, IGFBP1 TSHR 63/4885ALDH1A1 2804/4885TP53 3919/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 TSHR 3688/4885ALDH1A1 1593/4885TP53 1556/4885

“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.