SCHEMBL19204043

SCHEMBL19204043

CC(C)n1ccc2ccc(-c3nc4cc(F)ccc4n3C(C)C)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALPG P10696 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.40
PTGER4 P35408 2/20 0.38
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
RPS6KA5 O75582 1/20 0.35

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
SCHEMBL15723602 0.77 HTR2C (0.54) CYP11B1CYP11B2MAPTBRD4HTR2C
SCHEMBL8130706 0.72 CYP11B1 (0.45) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL27952100 0.72 ALDH1A1 (0.69) CYP11B1CYP11B2KDM4EALDH1A1LMNA
SCHEMBL20365098 0.70 HTR2C (0.54) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL1537613 0.68 CYP11B1 (0.41) CYP11B1CYP11B2HTR2CHTR2ARPS6KA5
SCHEMBL13071405 0.68 CYP11B1 (0.41) CYP11B1CYP11B2KDM4EHTR2CHTR2A
SCHEMBL3971362 0.68 CYP11B1 (0.41) CYP11B1CYP11B2HTR2CHTR2ARPS6KA5
SCHEMBL10247331 0.68 TSHR (0.41) CYP11B1CYP11B2LMNAHSD17B10HTR2C
SCHEMBL22005065 0.67 HTR6 (0.49) BRD4PGR
SCHEMBL13299517 0.66 NLRP3 (0.60) CYP11B1CYP11B2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 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 (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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP11B1 3532/4885CYP11B2 3580/4885KDM4E 1215/4885

“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.