SCHEMBL16201909

SCHEMBL16201909

Cc1ccc(CC2Cc3c(cccc3-c3ccccc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.50
ABCB1 P08183 2/20 0.43
CES2 O00748 1/20 0.42
MAOB P27338 2/20 0.42
CYP26A1 O43174 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL16775659 0.85 CYP19A1 (0.48) CYP19A1ABCB1MAOBCYP26A1L3MBTL1
SCHEMBL16193647 0.84 CYP19A1 (0.50) CYP19A1ABCB1MAOBCYP26A1L3MBTL1
SCHEMBL16201907 0.83 HTR1A (0.44) CYP19A1MAOBMEN1KMT2A
SCHEMBL16194380 0.82 CYP19A1 (0.49) CYP19A1ABCB1MEN1KMT2AALDH1A1
SCHEMBL5952468 0.80 ACHE (0.41) CYP19A1MAOBMEN1KMT2AALDH1A1
SCHEMBL1583277 0.80 METAP1 (0.42) CYP19A1
SCHEMBL6717685 0.79 PARP10 (0.42) CYP19A1CYP26A1
SCHEMBL16775664 0.78 CYP19A1 (0.45) CYP19A1ABCB1MAOBCYP26A1L3MBTL1
SCHEMBL16201914 0.78 CYP19A1 (0.39) CYP19A1ABCB1MAOBCYP26A1MEN1
SCHEMBL5951367 0.77 HTR1A (0.42) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9415027-B2 Therapeutic agents ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-20150258048-A1 THERAPEUTIC AGENTS ALLERGAN, INC. 2015-09-17 US disclosed
US-9051294-B2 Therapeutic agents ALLERGAN, INC. (US) 2015-06-09 US disclosed
US-20140323558-A1 THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 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-20140323558-A1 THERAPEUTIC AGENTS PTGER4, PTGER2, PTGER1 CYP19A1 2330/4885ABCB1 2632/4885CES2 1983/4885
US-20150258048-A1 THERAPEUTIC AGENTS PTGER4, PTGER2, PTGER1 CYP19A1 2330/4885ABCB1 2632/4885CES2 1983/4885

“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.