SCHEMBL4562095

SCHEMBL4562095

Oc1ccc(C(F)F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 3/20 0.41
▸ ADRA2B P18089 3/20 0.41
▸ ADRA2C P18825 3/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ ADRB2 P07550 2/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ AR P10275 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
SCHEMBL29826430 0.78 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL20443883 0.78 ADRA1A (0.45) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL1512796 0.78 PIM1 (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL29987655 0.78 PIM1 (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL10302847 0.76 ADRB2 (0.43) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL19466332 0.72 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL17429416 0.72 TSHR (0.53) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12787049 0.70 ADRB2 (0.39) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL17355559 0.70 KDM1A (0.36) —
SCHEMBL10302844 0.69 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168081-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-01 — — US disclosed
US-8114310-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2012-02-14 — — US disclosed
US-7854970-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-21 — — US disclosed
US-20100301270-A1 LIQUID-CRYSTALLINE MEDUIM MERCK PATENT GMBH (DE) 2010-12-02 — — US disclosed
US-20100304049-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-02 — — US disclosed
US-7807068-B2 reacting 4-halo-2,6-difluorophenol with protecting group, dehalogenating to form protected phenol ether group, reacting with boronic acid/ester, coupling in presence of catalyst, deblocking, etherifying, esterifying; for optical, electro-optical and electronic use, liquid-crystal media and displays MERCK PATENT GESELLSCHAFT (DE) 2010-10-05 — — US disclosed
US-7803434-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-09-28 — — US disclosed
US-7767280-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-03 — — US disclosed
US-7731865-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2010-06-08 — — US disclosed
US-20100051864-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2010-03-04 — — US disclosed
US-7560147-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2009-07-14 — — US disclosed
US-20090141215-A1 POLYMERIZABLE COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-06-04 — — US disclosed
US-20090103011-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 — — US disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 — — US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 — — US disclosed
US-20080191166-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-14 — — US disclosed
US-20080193681-A1 Liquid-Crystal Medium MERCK PATENT GMBH (DE) 2008-08-14 — — US disclosed
US-20080191167-A1 Liquid-crystalline medium MERCK PATENT GMBH 2008-08-14 — — US disclosed
US-7371437-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-05-13 — — US disclosed
US-7335403-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-02-26 — — 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-20090141215-A1 POLYMERIZABLE COMPOUNDS VCL, LCP1, LPXN ADRA2A 4617/4885ADRA2B 4751/4885ADRA2C 4455/4885

“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.

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