SCHEMBL18614004

SCHEMBL18614004

CCCNC(=O)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
PLG P00747 2/20 0.54
KLK1 P06870 2/20 0.54
KLK6 Q92876 2/20 0.54
KLKB1 P03952 1/20 0.54
NAAA Q02083 2/20 0.54
ESRRG P62508 7/20 0.53
NR5A2 O00482 1/20 0.53
NR5A1 Q13285 1/20 0.53
ESRRB O95718 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RX1 P51575 1/20 0.45
CDK1 P06493 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 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
SCHEMBL15828698 0.85 ESRRG (0.50) HSP90AA1HSP90AB1ESRRGNR5A2NR5A1
SCHEMBL11691278 0.81 PLG (0.63) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL15248903 0.81 ESRRG (0.61) ESRRGNR5A2NR5A1ESRRBTDP1
SCHEMBL9491965 0.80 PLG (0.58) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL18645554 0.80 NAAA (0.57) NAAATDP1POLBTHRBRECQL
SCHEMBL9363837 0.78 ALOX5 (0.58) NAAATDP1POLBTHRBRECQL
SCHEMBL18646379 0.78 NAAA (0.56) NAAATDP1POLBTHRBRECQL
SCHEMBL18613875 0.78 NR5A2 (0.84) ESRRGNR5A2NR5A1ESRRBTDP1
SCHEMBL14615882 0.77 RAB9A (0.68) ESRRGESRRBPOLBL3MBTL1ALDH1A1
SCHEMBL11343595 0.76 HSP90AA1 (0.65) HSP90AA1HSP90AB1PLGKLK1KLK6

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 5 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
US-10980755-B2 LRH-1 modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-20 US disclosed
US-20180243245-A1 LRH-1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-30 US disclosed
WO-2017044889-A1 LRH-1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-16 WO 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 (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-20180243245-A1 LRH-1 MODULATORS NR1H4, NR1H2, NR1H3 HSP90AA1 2068/4885HSP90AB1 1459/4885PLG 4376/4885
US-10980755-B2 LRH-1 modulators NR1H4, NR1H2, NR1H3 HSP90AA1 2068/4885HSP90AB1 1459/4885PLG 4376/4885

“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.