SCHEMBL9763946

SCHEMBL9763946

CCC1CCC(c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 2/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL8860603 1.00 TRPV3 (0.34) TRPV3ALDH1A1CYP2C9ESR2ESR1
SCHEMBL3437354 0.95 TRPV3 (0.32) TRPV3ALDH1A1
SCHEMBL7913623 0.95 CYP2C9 (0.36) TRPV3ALDH1A1CYP2C9ESR2LMNA
SCHEMBL8015656 0.95 TRPV3 (0.32) TRPV3ALDH1A1
SCHEMBL8736434 0.95 TRPV3 (0.32) TRPV3ALDH1A1
SCHEMBL8736323 0.95 CYP2C9 (0.36) TRPV3ALDH1A1CYP2C9ESR2LMNA
SCHEMBL18512507 0.95 TRPV3 (0.32) TRPV3ALDH1A1
SCHEMBL8015649 0.95 TRPV3 (0.32) TRPV3ALDH1A1
SCHEMBL8734596 0.90 TRPV3 (0.30) TRPV3
SCHEMBL8734602 0.90 TRPV3 (0.30) TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed
US-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed
US-20120274888-A1 OPTICALLY ANISOTROPIC SUBSTANCE JNC PETROCHEMICAL CORPORATION (JP) 2012-11-01 US disclosed
US-8048496-B2 Polymerizable liquid crystal compound, liquid crystal composition and polymer JNC CORPORATION (JP) 2011-11-01 US disclosed
US-20100297367-A1 OPTICALLY ANISOTROPIC SUBSTANCE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER CHISSO CORPORATION 2010-04-22 US disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 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-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER PKN1, ZYX, OXER1 TRPV3 2239/4885ALDH1A1 839/4885CYP2C9 682/4885

“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.