SCHEMBL14234530

SCHEMBL14234530

Cc1ccc(-c2cc(F)c(CF)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
PTGS2 P35354 1/20 0.36
CTSA P10619 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KDM1A O60341 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GRM5 P41594 2/20 0.34
JAK2 O60674 1/20 0.34
RPS6KA3 P51812 1/20 0.33
PDE9A O76083 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL20370270 0.96 AKR1C3 (0.36) AKR1C3AKR1C2PTGS2CTSAPDE3B
SCHEMBL14234528 0.93 PDE3B (0.37) AKR1C3AKR1C2PTGS2CTSAPDE3B
SCHEMBL13680175 0.91 PDE3B (0.38) AKR1C3AKR1C2PTGS2CTSAPDE3B
SCHEMBL15929950 0.89 PDE3B (0.39) AKR1C3AKR1C2PTGS2PDE3BPDE3A
SCHEMBL4567639 0.89 PDE3B (0.39) AKR1C3AKR1C2PTGS2PDE3BPDE3A
SCHEMBL12889472 0.80 PTGS2 (0.40) AKR1C3AKR1C2PTGS2CTSAPDE3B
SCHEMBL10018710 0.80 PTGS2 (0.40) AKR1C3AKR1C2PTGS2CTSAPDE3B
SCHEMBL12429550 0.79 FEN1 (0.37) PDE3BPDE3ARPS6KA3
SCHEMBL4429889 0.79 AKR1C3 (0.36) AKR1C3AKR1C2CTSAPDE3BPDE3A
SCHEMBL4567638 0.79 ACHE (0.37) PTGS2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938464-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-9862887-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2018-01-09 US disclosed
US-9822305-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-21 US disclosed
US-9809749-B2 Mesogenic compound, liquid-crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-20170226422-A1 POLYMERISABLE MESOGENIC COMPOUND, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-9612445-B2 Lens element MERCK PATENT GMBH (DE) 2017-04-04 US disclosed
US-20170002290-A1 ELECTRO-RHEOLOGICAL FLUID AND HAPTIC DEVICE MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20160326436-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-11-10 US disclosed
US-9475990-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2016-10-25 US disclosed
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-04-28 US disclosed
US-20150247089-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-09-03 US disclosed
US-20150129800-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-05-14 US disclosed
EP-2568032-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-11-26 EP disclosed
US-20140225035-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
US-20140158934-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-8659737-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-02-25 US disclosed
EP-2568032-A2 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2013-03-13 EP disclosed
US-20130057947-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 US disclosed
WO-2013017197-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-02-07 WO disclosed
WO-2012163470-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-12-06 WO 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 (2 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-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY BMP2, IK, EML4 AKR1C3 4807/4885AKR1C2 4792/4885PTGS2 2939/4885
US-20150129800-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY CCND2, CFD, CRY1 AKR1C3 4512/4885AKR1C2 4438/4885PTGS2 3322/4885

“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.