SCHEMBL18646181

SCHEMBL18646181

CCCC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.49
NR5A1 Q13285 1/20 0.49
GAA P10253 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 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
SCHEMBL18646078 0.92 NR5A2 (0.53) NR5A2NR5A1GAAKMT2APOLB
SCHEMBL18646077 0.90 NR5A2 (0.52) NR5A2NR5A1GAAKMT2AALDH1A1
SCHEMBL28004482 0.88 NR5A2 (0.48) NR5A2NR5A1GAAKMT2AALDH1A1
SCHEMBL27560100 0.80 ALDH1A1 (0.46) NR5A2NR5A1GAAKMT2APOLB
SCHEMBL29282569 0.78 ALDH1A1 (0.62) GAAKMT2AMAPK1ALDH1A1TDP1
SCHEMBL6750845 0.75 NR5A2 (0.48) NR5A2NR5A1ALDH1A1KDM4ECYP2C19
SCHEMBL18646369 0.75 NR5A2 (0.53) NR5A2NR5A1GAAKMT2AALDH1A1
SCHEMBL23793643 0.73 CA2 (0.46) NR5A2NR5A1GAAKMT2APOLB
SCHEMBL25111316 0.73 POLB (0.54) GAAKMT2AMAPK1POLBALDH1A1
SCHEMBL394716 0.72 CA2 (0.45) NR5A2NR5A1GAAPOLBALDH1A1

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 NR5A2 11/4885NR5A1 27/4885GAA 4646/4885

“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.