SCHEMBL6690250

SCHEMBL6690250

Fc1cccc2c(Br)ccc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1B1 Q16678 8/20 0.37
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PARP1 P09874 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
FFAR1 O14842 1/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL30366470 0.79 DAO (0.36) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL20356037 0.79 DAO (0.36) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL23191346 0.76 CCNE2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL13755386 0.76 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL155660 0.75 PKM (0.40) CYP1A2ALDH1A1RXFP1PARP1
SCHEMBL29563412 0.75 PARP1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4106168 0.75 PARP1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL15537796 0.74 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2679177 0.74 CYP1A2 (0.45) CYP1A2ALDH1A1CYP1B1POLBRXFP1
SCHEMBL3575204 0.74 CYP1A2 (0.45) CYP1A2ALDH1A1CYP1B1POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737125-B2 SUCH AS 8,9-DIFLUORO-7-(4-PENTYLPHENYL)-2-PROPYL-2,3-DIHYDRO-1H -CYCLOPENTA(A)NAPHTHALENE; FOR USE IN AUTOMOBILE INTERIORS CLARIANT FINANCE (BVI) LIMITED (VG) 2004-05-18 US disclosed
US-20030108684-A1 Such as 8,9-difluoro-7-(4-pentylphenyl)-2-propyl-2,3-dihydro-1H -cyclopenta(a)naphthalene; for use in automobile interiors CLARIANT INTERNATIONAL LTD. 2003-06-12 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-20030108684-A1 Such as 8,9-difluoro-7-(4-pentylphenyl)-2-propyl-2,3-dihydro-1H -cyclopenta(a)naphthalene; for use in automobile interiors SCO2, CYP2F1, OGFOD1 CYP1A2 350/4885CYP3A4 942/4885CYP2C9 774/4885

“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.