SCHEMBL18646379

SCHEMBL18646379

CCCNC(=O)c1cc(CC)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.56
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TRPA1 O75762 1/20 0.47
CDK1 P06493 1/20 0.47
ALOX5 P09917 2/20 0.46
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SYK P43405 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL18646048 0.91 NAAA (0.65) NAAACDK1ALOX5PTGS2KDM4E
SCHEMBL18645568 0.89 NAAA (0.72) NAAACDK1ALOX5PTGS2KDM4E
SCHEMBL8980583 0.89 KDM4E (0.55) NAAATRPA1CDK1ALOX5PTGS2
SCHEMBL18645554 0.82 NAAA (0.57) NAAAPOLBTHRBRECQLTDP1
SCHEMBL18614057 0.81 HSP90AA1 (0.56) NAAAPOLBTHRBRECQLTDP1
SCHEMBL9363837 0.81 ALOX5 (0.58) NAAAPOLBTHRBRECQLTDP1
SCHEMBL18614004 0.78 HSP90AA1 (0.56) NAAAPOLBTHRBRECQLTDP1
SCHEMBL646876 0.76 CA12 (0.65) POLBTRPA1PTGS2KDM4EALDH1A1
SCHEMBL1238119 0.76 NAAA (0.76) NAAAPOLBL3MBTL1ALOX5KDM4E
SCHEMBL925372 0.75 TRPA1 (0.57) POLBTRPA1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10980755-B2 LRH-1 modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-20 US disclosed
WO-2017044889-A1 LRH-1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-16 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-10980755-B2 LRH-1 modulators NR1H4, NR1H2, NR1H3 NAAA 3812/4885POLB 4347/4885THRB 98/4885

“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.