SCHEMBL5158375

SCHEMBL5158375

COc1ccc2c(c1)C(C(=O)O)CC2=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP19A1 P11511 9/20 0.47
MAOB P27338 6/20 0.47
CYP3A4 P08684 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ABCB1 P08183 1/20 0.44
AR P10275 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PDE5A O76074 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14395399 0.88 ATM (0.47) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL8564363 0.87 LMNA (0.54) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL27942991 0.81 LMNA (0.46) LMNAGAA
SCHEMBL27953567 0.80 MAOB (0.43) GAAKDM4EALDH1A1CYP19A1MAOB
SCHEMBL1520733 0.80 SIRT1 (0.45)
SCHEMBL503654 0.78 SIGMAR1 (0.57) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL27881140 0.78 KDM4E (0.57) GAAKDM4EALDH1A1KMT2A
SCHEMBL5266396 0.78 KDM4E (0.56) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL5156270 0.76 MAOB (0.43) ALDH1A1MAOB
SCHEMBL22319275 0.76 GAA (0.52) LMNAGAAKDM4EALDH1A1CYP19A1

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-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 LMNA 3487/4885GAA 2059/4885KDM4E 2227/4885

“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.