SCHEMBL18134256

SCHEMBL18134256

C=CCC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
FPR2 P25090 4/20 0.33
TGFBR1 P36897 2/20 0.33
ACVR1 Q04771 2/20 0.33
DGAT1 O75907 3/20 0.32
SOAT1 P35610 3/20 0.32
HTR1A P08908 2/20 0.32
KCNH2 Q12809 1/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
FFAR2 O15552 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL10030938 0.88 DGAT1 (0.35) S1PR1FPR2TGFBR1ACVR1DGAT1
SCHEMBL18134257 0.87 S1PR1 (0.33) S1PR1FPR2TGFBR1ACVR1DGAT1
SCHEMBL19985376 0.87 S1PR1 (0.33) S1PR1FPR2TGFBR1ACVR1DGAT1
SCHEMBL4549764 0.86 S1PR1 (0.37) S1PR1FPR2TGFBR1ACVR1KCNH2
SCHEMBL19985387 0.86 FPR2 (0.35) S1PR1FPR2TGFBR1ACVR1DGAT1
SCHEMBL17614852 0.85 FPR2 (0.37) S1PR1FPR2TGFBR1ACVR1DGAT1
SCHEMBL18134255 0.84 DGAT1 (0.34) DGAT1SOAT1ESR2ESR1CYP3A4
SCHEMBL12379817 0.84 DGAT1 (0.34) DGAT1SOAT1ESR2ESR1CYP3A4
SCHEMBL17584849 0.83 CYP2C9 (0.44) S1PR1FPR2TGFBR1ACVR1DGAT1
SCHEMBL22277508 0.82 GPR119 (0.34) DGAT1SOAT1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230272282-A1 LC MIXTURES WITH NEGATIVE DELTA EPSILONCONTAINING CC-4-V1 AND COB(S)-N-OM MERCK PATENT GMBH (DE) 2023-08-31 US disclosed
US-20180163136-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-14 US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
US-20180086980-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2018-03-29 US disclosed
US-20180037820-A1 PIPERIDINE DERIVATIVES AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-02-08 US disclosed
US-20170335190-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-11-23 US disclosed
US-20170292072-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-10-12 US disclosed
US-20170233652-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20160298033-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2016-10-13 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-20180037820-A1 PIPERIDINE DERIVATIVES AND LIQUID-CRYSTALLINE MEDIUM NEFM, AQP1, AQP4 S1PR1 744/4885FPR2 2881/4885TGFBR1 1799/4885

“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.