SCHEMBL6402602

SCHEMBL6402602

O=C(CCl)C1CCCC12Nc1ccccc1C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.36
HPGD P15428 6/20 0.36
ALDH1A1 P00352 13/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
RAB9A P51151 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4892684 0.72 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2HSD17B10LMNA
SCHEMBL23861784 0.64 HPGD (0.40) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL16163017 0.62 PDE7A (0.54) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11536434 0.61 MAOA (0.47) KDM4EHPGDALDH1A1SMN1; SMN2CASP3
SCHEMBL23861832 0.58 KDM4E (0.38) KDM4EHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL21383782 0.57 CRBN (0.45) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL29603792 0.57 CRBN (0.45) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL29604423 0.57 MAOA (0.41) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL1789178 0.57 MAOA (0.41) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL24447629 0.56 BACE1 (0.67) SMN1; SMN2LMNAOPRM1OPRK1OPRL1

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-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles PFIZER INC 2005-02-17 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-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH KDM4E 2567/4885HPGD 1682/4885ALDH1A1 1321/4885

“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.