SCHEMBL16852397

SCHEMBL16852397

COc1ccc(-c2ccc(C)c(F)c2F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.51
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
GRM2 Q14416 1/20 0.43
PRKCZ Q05513 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ERN1 O75460 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL14648802 0.87 CYP11B1 (0.43) AMY1ACD274CYP11B1CYP11B2NPC1
SCHEMBL10340365 0.84 AMY1A (0.50) AMY1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16855942 0.82 CA12 (0.48) AMY1AGRM2PRKCZCD274ERN1
SCHEMBL16852406 0.81 HMOX1 (0.43) AMY1APRKCZCYP1A2NPC1
SCHEMBL16855819 0.81 ERN1 (0.46) AMY1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16852416 0.79 ACACB (0.41) NPC1RAB9A
SCHEMBL16852412 0.79 MEN1 (0.41) NPC1RAB9A
SCHEMBL18436302 0.79 CD274 (0.48) AMY1AGRM2CD274ERN1GPR35
SCHEMBL1528920 0.79 CD274 (0.48) AMY1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL171839 0.78 CYP1A2 (0.47) AMY1ACYP1A2CYP1A1CYP1B1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951274-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2018-04-24 US disclosed
US-20170362506-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-12-21 US disclosed
US-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
US-20170044437-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
US-20160319194-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-20160152587-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
US-20150299574-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 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 (3 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-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 AMY1A 667/4885PRKAB2 3282/4885PRKAG1 2834/4885
US-20170044437-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 AMY1A 667/4885PRKAB2 3282/4885PRKAG1 2834/4885
US-20160152587-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 AMY1A 667/4885PRKAB2 3282/4885PRKAG1 2834/4885

“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.