SCHEMBL755578

SCHEMBL755578

COc1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHX2 P34913 3/20 0.47
P2RX1 P51575 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
APP P05067 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8635438 0.89 LTA4H (0.50) ALDH1A1GAAMEN1KMT2AHSD17B10
SCHEMBL8633891 0.88 SMN1; SMN2 (0.50) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL8632072 0.88 ESRRA (0.44) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL29427761 0.84 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL10656799 0.84 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL16648399 0.83 ESRRA (0.49) ALDH1A1THRBAR
SCHEMBL29362042 0.82 ALDH1A1 (0.73) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL35535 0.82 ALDH1A1 (0.73) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL6142004 0.82 ALDH1A1 (0.73) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL8635777 0.81 PTGIR (0.44) ALDH1A1GAAKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-11415887-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-16 US disclosed
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
US-20220026805-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-27 US disclosed
US-20200272048-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-27 US disclosed
US-20200241414-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed
EP-0206951-B1 PROCESS FOR THE PERFLUOROALKYLATION OF AROMATIC DERIVATIVES RHONE-POULENC CHIMIE (FR) 1990-03-21 EP disclosed
EP-0206951-A2 Process for the perfluoroalkylation of aromatic derivatives RHONE-POULENC CHIMIE (FR) 1986-12-30 EP 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB ALDH1A1 2920/4885GAA 4669/4885KDM4E 4017/4885
US-20200241414-A1 RESIST COMPOSITION AND PATTERNING PROCESS INSR, HNRNPU, HNRNPR ALDH1A1 4836/4885GAA 3605/4885KDM4E 2213/4885

“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.