SCHEMBL6685346

SCHEMBL6685346

CCCCCCCCc1ccc(-c2ccc(Br)cc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.64
RARA P10276 2/20 0.50
RARG P13631 1/20 0.50
HTR2A P28223 1/20 0.47
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44

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
SCHEMBL6686529 1.00 RARB (0.64) RARBRARARARGHTR2AHSD17B10
SCHEMBL6687468 1.00 RARB (0.64) RARBRARARARGHTR2AHSD17B10
SCHEMBL222565 0.98 RARB (0.61) RARBRARARARGHTR2AHSD17B10
SCHEMBL4186955 0.94 RARB (0.56) RARBRARARARGHTR2ARAB9A
SCHEMBL9176105 0.90 RARB (0.58) RARBRARARARGHTR2AHSD17B10
SCHEMBL6684291 0.88 RARB (0.48) RARBHTR2AHSD17B10TP53MAPT
SCHEMBL10974728 0.88 RARB (0.70) RARBRARARARGHTR2AHSD17B10
SCHEMBL10977177 0.88 RARB (0.70) RARBRARARARGHTR2AHSD17B10
SCHEMBL10977018 0.88 RARB (0.70) RARBRARARARGHTR2AHSD17B10
SCHEMBL10986616 0.88 RARB (0.70) RARBRARARARGHTR2AHSD17B10

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 11 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
US-5494605-A FERROELECTRIC, CHEMICALLY STABLE WITH WIDE TEMPERATURE RANGE KANTO KAGAKU KABUSHIKI KAISHA (JP) 1996-02-27 US disclosed
US-5382380-A Ferroelectric material for displays KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-01-17 US disclosed
EP-0414230-B1 Liquid crystal composition and liquid crystal device containing the same SHARP KK (JP) 1995-01-04 EP disclosed
EP-0360043-B1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU (JP) 1994-11-09 EP disclosed
US-5271867-A Liquid crystal composition and liquid crystal device containing the same SHARP KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
EP-0360042-B1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU (JP) 1993-11-03 EP disclosed
EP-0414230-A2 Liquid crystal composition and liquid crystal device containing the same SHARP KABUSHIKI KAISHA (JP) 1991-02-27 EP disclosed
EP-0360043-A1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU KABUSHIKI KAISHA (JP) 1990-03-28 EP disclosed
EP-0360042-A1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU KABUSHIKI KAISHA (JP) 1990-03-28 EP 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 RARB 3320/4885RARA 3197/4885RARG 3232/4885

“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.