SCHEMBL9493483

SCHEMBL9493483

CCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.58
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL9494416 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9493995 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9493565 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9493854 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9493667 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9494751 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9497684 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL10535696 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL10533738 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL9494662 1.00 RARB (0.58) RARBHSD17B10ALDH1A1ESR1ADRA2A

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-8778223-B2 Liquid crystals having cyclohexyl core structures and fluorinated tails LC VISION, LLC (US) 2014-07-15 US disclosed
US-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS LC VISION, LLC 2012-12-27 US disclosed
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 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-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS Q6ZSR9, CRACR2A, RCC1 RARB 3797/4885HSD17B10 3631/4885ALDH1A1 3343/4885

“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.