SCHEMBL6685567

SCHEMBL6685567

CCCc1ccc2ccc(O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
ESR1 P03372 5/20 0.45
ESR2 Q92731 3/20 0.45
CYP1A2 P05177 2/20 0.45
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL2046459 0.94 CNR1 (0.53) CNR1CNR2ESR1ESR2CYP1A2
SCHEMBL12221232 0.87 ESR1 (0.52) ESR1ESR2CYP1A2CYP3A4HIF1A
SCHEMBL20335366 0.85 PTGS2 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2221672 0.83 CYP1A2 (0.59) ESR1ESR2CYP1A2ALDH1A1CYP3A4
SCHEMBL29946510 0.82 PTGS2 (0.55) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2048075 0.82 PTGS2 (0.55) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL23718290 0.82 CNR1 (0.48) CNR1CNR2CYP1A2KDM4EALDH1A1
SCHEMBL4065606 0.81 PTGS2 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7193556 0.80 CNR1 (0.54) CNR1CNR2CYP1A2SLC6A2SLC6A3
SCHEMBL31593166 0.80 CNR1 (0.54) CNR1CNR2CYP1A2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP 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 (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 CNR1 471/4885CNR2 467/4885ESR1 3714/4885

“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.