SCHEMBL5093595

SCHEMBL5093595

CCCCC[C@H]1CC[C@H](c2ccc(Br)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.43
KDM1A O60341 2/20 0.41
KDM1B Q8NB78 1/20 0.41
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5106829 1.00 OPRL1 (0.43) OPRL1KDM1AKDM1BTP53GAA
SCHEMBL5093446 1.00 OPRL1 (0.43) OPRL1KDM1AKDM1BTP53GAA
SCHEMBL10019957 0.91 OPRL1 (0.47) OPRL1KDM1AKDM1B
SCHEMBL9662965 0.91 OPRL1 (0.41) OPRL1GAAMAPT
SCHEMBL9662955 0.91 OPRL1 (0.41) OPRL1GAAMAPT
SCHEMBL10043505 0.85 CYP2C9 (0.44) OPRL1GAAMAPTMEN1KMT2A
SCHEMBL30767882 0.84 OPRL1 (0.42) OPRL1TP53GAAMAPTMEN1
SCHEMBL29186352 0.84 OPRL1 (0.42) OPRL1TP53GAAMAPTMEN1
SCHEMBL8069369 0.84 OPRL1 (0.56) OPRL1
SCHEMBL10043508 0.84 OPRL1 (0.44) OPRL1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618101-B1 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
US-7326447-B2 Benzochromene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-05 US disclosed
US-20060177603-A1 Benzochromene derivatives MERCK PATENT GMBH (DE) 2006-08-10 US disclosed
EP-1618101-A2 BENZOCHROMENE DERIVATIVES MERCK PATENT GmbH (DE) 2006-01-25 EP disclosed
WO-2004076438-A2 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2004-09-10 WO disclosed
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 (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-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 OPRL1 971/4885KDM1A 3106/4885KDM1B 3866/4885
US-20060177603-A1 Benzochromene derivatives SBDS, CCND2, DDT OPRL1 2245/4885KDM1A 2540/4885KDM1B 2951/4885

“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.