SCHEMBL172402

SCHEMBL172402

Cc1ccc(-c2ccc(C3CCC(O)CC3)cc2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.46
APP P05067 2/20 0.40
CYP3A4 P08684 5/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
DGAT1 O75907 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SOAT1 P35610 1/20 0.33
ESR1 P03372 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDK2 Q15119 1/20 0.32
S1PR1 P21453 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
TMEM97 Q5BJF2 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
SCHEMBL29611269 1.00 ESR2 (0.46) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL26167206 0.92 CYP3A4 (0.38) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL26672922 0.88 CYP3A4 (0.36) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL802765 0.86 ESR2 (0.46) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL16769002 0.86 CYP3A4 (0.42) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL16768999 0.86 CYP3A4 (0.45) APPCYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL18251036 0.85 SPHK1 (0.39) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL15445840 0.85 ESR2 (0.45) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL12658807 0.85 ESR2 (0.45) ESR2APPCYP3A4CYP2C9CYP2D6
SCHEMBL24778682 0.84 CYP3A4 (0.47) APPCYP3A4CYP2C9DGAT1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399281-A1 METHOD FOR PERFORMING MITSUNOBU REACTION BETWEEN ALCOHOLIC HYDROXYL GROUP DONOR AND ACTIVE HYDROGEN DONOR JIANGSU HECHENG ADVANCED MATERIALS CO., LTD. (CN) 2023-12-14 US disclosed
US-20230399281-A1 METHOD FOR PERFORMING MITSUNOBU REACTION BETWEEN ALCOHOLIC HYDROXYL GROUP DONOR AND ACTIVE HYDROGEN DONOR JIANGSU HECHENG ADVANCED MATERIALS CO., LTD. (CN) 2023-12-14 US disclosed
US-20230399281-A1 METHOD FOR PERFORMING MITSUNOBU REACTION BETWEEN ALCOHOLIC HYDROXYL GROUP DONOR AND ACTIVE HYDROGEN DONOR JIANGSU HECHENG ADVANCED MATERIALS CO., LTD. (CN) 2023-12-14 US disclosed
WO-2022088244-A1 METHOD FOR PERFORMING MITSUNOBU REACTION BETWEEN ALCOHOLIC HYDROXYL GROUP DONOR AND ACTIVE HYDROGEN DONOR 江苏和成新材料有限公司 2022-05-05 WO disclosed
EP-1763569-B1 LIQUID CRYSTAL MEDIUM AND ELECTROOPTICAL DISPLAY CONTAINING SAME MERCK PATENT GMBH (DE) 2018-01-17 EP disclosed
US-20170088776-A1 LIQUID CRYSTAL MEDIUM AND ELECTROOPTICAL DISPLAY CONTAINING SAME MERCK PATENT GMBH (DE) 2017-03-30 US disclosed
US-9550942-B2 Liquid crystal medium and electrooptical display containing same MERCK PATENT GMBH (DE) 2017-01-24 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
EP-2199362-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
EP-2265691-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
WO-2010057575-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-05-27 WO disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 US disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 EP disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed
WO-2009115186-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-09-24 WO disclosed
US-20090213318-A1 Liquid crystal medium and electrooptical display containing same MERCK PATENT GESELLSCHAFT (DE) 2009-08-27 US disclosed
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT (DE) 2008-06-26 US disclosed
EP-1932896-A1 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GmbH (DE) 2008-06-18 EP disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 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 (4 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-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS SBDS, LSS, VCL ESR2 1012/4885APP 2371/4885CYP3A4 1126/4885
US-20230399281-A1 METHOD FOR PERFORMING MITSUNOBU REACTION BETWEEN ALCOHOLIC HYDROXYL GROUP DONOR AND ACTIVE HYDROGEN DONOR ADH5, ADH1C, ADH1A ESR2 3431/4885APP 4133/4885CYP3A4 112/4885
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES ESR2 1269/4885APP 216/4885CYP3A4 2439/4885
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications VIM, CDH1, LEF1 ESR2 1692/4885APP 2124/4885CYP3A4 3869/4885

“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.