SCHEMBL6307397

SCHEMBL6307397

O=C1c2ccccc2CCC1CCl

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.59
SIGMAR1 Q99720 3/20 0.57
HTR1A P08908 2/20 0.57
ACHE P22303 1/20 0.54
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
METAP1 P53582 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL5608451 0.82 CYP19A1 (0.59) CYP19A1SIGMAR1HTR1AACHEALDH1A1
SCHEMBL11734950 0.82 CYP19A1 (0.59) CYP19A1SIGMAR1HTR1AACHEALDH1A1
SCHEMBL3761876 0.81 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1AACHE
SCHEMBL28733987 0.81 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1AACHE
SCHEMBL30275056 0.81 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1AACHE
SCHEMBL6694407 0.79 CYP19A1 (0.61) CYP19A1SIGMAR1HTR1AACHEALDH1A1
SCHEMBL9431516 0.79 CYP19A1 (0.56) CYP19A1SIGMAR1HTR1AACHEALDH1A1
SCHEMBL6689014 0.79 CYP19A1 (0.61) CYP19A1SIGMAR1HTR1AACHEALDH1A1
SCHEMBL2125675 0.78 METAP1 (0.71) CYP19A1SIGMAR1HTR1AACHEMETAP1
SCHEMBL8003063 0.78 METAP1 (0.71) CYP19A1SIGMAR1HTR1AACHEMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP19A1 962/4885SIGMAR1 4393/4885HTR1A 4741/4885

“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.