SCHEMBL316628

SCHEMBL316628

[CH2]C1Cc2cc(OC)ccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.58
CYP19A1 P11511 2/20 0.53
ACHE P22303 1/20 0.51
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
TSHR P16473 1/20 0.45
CYP24A1 Q07973 4/20 0.45
CYP26A1 O43174 2/20 0.45
CYP27A1 Q02318 2/20 0.45
MIF P14174 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL23181421 0.81 METAP1 (0.60) METAP1CYP19A1ACHEALDH1A1KDM4E
SCHEMBL316629 0.81 ACHE (0.76) METAP1CYP19A1ACHEALDH1A1KDM4E
SCHEMBL31189156 0.80 METAP1 (0.58) METAP1CYP19A1ACHEALDH1A1KDM4E
SCHEMBL4462617 0.80 METAP1 (0.58) METAP1CYP19A1ACHEALDH1A1KDM4E
SCHEMBL13567459 0.78 METAP1 (0.53) METAP1CYP19A1ACHEALDH1A1KDM4E
SCHEMBL7573550 0.78 METAP1 (0.56) METAP1CYP19A1ACHEALDH1A1HTR2A
SCHEMBL14306761 0.78 METAP1 (0.72) METAP1CYP19A1ACHECYP24A1CYP26A1
SCHEMBL12043649 0.78 METAP1 (0.56) METAP1CYP19A1ACHEALDH1A1KDM4E
SCHEMBL7590204 0.76 METAP1 (0.55) METAP1CYP19A1ACHEALDH1A1HTR2A
SCHEMBL15617638 0.76 METAP1 (0.70) METAP1CYP19A1ACHEALDH1A1CYP24A1

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 METAP1 2794/4885CYP19A1 651/4885ACHE 4625/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 METAP1 3256/4885CYP19A1 14/4885ACHE 1406/4885

“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.