SCHEMBL16604331

SCHEMBL16604331

Cc1cc(F)c(-c2cc(F)c(C#N)c(F)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.47
PDE9A O76083 2/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ALDH1A1 P00352 4/20 0.36
EGLN2 Q96KS0 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
DHODH Q02127 1/20 0.34
IDO1 P14902 1/20 0.33
LMNA P02545 1/20 0.33
PDE1C Q14123 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
SCHEMBL80375 0.87 TRPV4 (0.58) TRPV4PDE9ACYP11B1CYP11B2ALDH1A1
SCHEMBL18121304 0.87 CYP11B1 (0.43) TRPV4PDE9ACYP11B1CYP11B2ALDH1A1
SCHEMBL14075237 0.86 TRPV4 (0.45) TRPV4PDE9ACYP11B1CYP11B2ALDH1A1
SCHEMBL18121215 0.85 PDE9A (0.49) TRPV4PDE9ACYP11B1CYP11B2ALDH1A1
SCHEMBL15829138 0.84 TRPV4 (0.37) TRPV4PDE9ACYP11B1CYP11B2EGLN2
SCHEMBL17053356 0.81 TRPV4 (0.38) TRPV4PDE9ACYP11B1CYP11B2ALDH1A1
SCHEMBL12889534 0.81 TRPV4 (0.33) TRPV4ALDH1A1HPGDGLAGAA
SCHEMBL24492691 0.80 MAPT (0.36) TRPV4PDE9AALDH1A1HPGDGLA
SCHEMBL30332317 0.80 ESR1 (0.51) TRPV4EGLN2ESR1ESR2IDO1
SCHEMBL12012492 0.80 TRPV4 (0.47) TRPV4CYP11B1CYP11B2ALDH1A1EGLN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019179962-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-09-26 WO disclosed
WO-2019030153-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2019-02-14 WO disclosed
WO-2019030150-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2019-02-14 WO disclosed
WO-2018104279-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-06-14 WO disclosed
EP-2935513-B1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2018-03-07 EP disclosed
US-20170357131-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
EP-2855631-B1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-09-20 EP disclosed
US-9758727-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-09-12 US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160222293-A1 MESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-04 US disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150175886-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
WO-2015074737-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-05-28 WO disclosed
US-20150090935-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-04-02 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 (8 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 TRPV4 2383/4885PDE9A 2667/4885CYP11B1 484/4885
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 TRPV4 3055/4885PDE9A 4809/4885CYP11B1 1497/4885
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media SP1, FOXM1, S100A11 TRPV4 3055/4885PDE9A 4809/4885CYP11B1 1497/4885
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 TRPV4 3055/4885PDE9A 4809/4885CYP11B1 1497/4885
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 TRPV4 3055/4885PDE9A 4809/4885CYP11B1 1497/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 TRPV4 3012/4885PDE9A 4330/4885CYP11B1 463/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 TRPV4 3055/4885PDE9A 4809/4885CYP11B1 1497/4885
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 TRPV4 3055/4885PDE9A 4809/4885CYP11B1 1497/4885

“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.