SCHEMBL6524970

SCHEMBL6524970

CCCC1CCC(C2(c3ccc(F)c(F)c3)CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.51
SLC6A3 Q01959 12/20 0.51
SLC6A2 P23975 10/20 0.51
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRL1 P41146 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC6A9 P48067 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL8536568 0.91 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL8020936 0.91 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL6524968 0.90 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL7760357 0.89 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL8921684 0.86 SLC6A3 (0.50) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL8435345 0.85 OPRM1 (0.41) SLC6A4SLC6A3SLC6A2KCNH2OPRM1
SCHEMBL9574561 0.82 OPRL1 (0.33) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL9574554 0.82 OPRL1 (0.33) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL9177824 0.82 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL9177828 0.82 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2

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 14 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
WO-2005010160-A2 LIQUID CRYSTALS WITH REDUCED TOXICITY AND APPLICATIONS THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-02-03 WO disclosed
EP-0714899-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-04-18 EP disclosed
EP-0718301-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-03-08 EP disclosed
US-5868961-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-02-09 US disclosed
EP-0632044-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-01-27 EP disclosed
US-5725797-A Silacyclohexane compound, a process for producing the same, and a liquid crystal composition comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-10 US disclosed
US-5679746-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-10-21 US disclosed
US-5641430-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-06-24 US disclosed
EP-0714899-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-05 EP disclosed
US-5454977-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-10-03 US disclosed
EP-0632044-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-01-04 EP disclosed
EP-0630903-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1994-12-28 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-20120326083-A1 LIQUID CRYSTALS HAVING CYCLOHEXYL CORE STRUCTURES AND FLUORINATED TAILS Q6ZSR9, CRACR2A, RCC1 SLC6A4 2183/4885SLC6A3 2424/4885SLC6A2 3036/4885

“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.