SCHEMBL4635889

SCHEMBL4635889

Cc1ccc(-c2ccccc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
HDAC7 Q8WUI4 1/20 0.47
MAOB P27338 4/20 0.46
PSMB5 P28074 1/20 0.46
ESR2 Q92731 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
ELANE P08246 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL16544761 0.86 ALDH1A1 (0.42) ALDH1A1MAPK1MAOBNPC1RAB9A
SCHEMBL27884161 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1HDAC7MAOBESR2
SCHEMBL19794338 0.84 MAOA (0.38) ALDH1A1MAPK1MAOBNPC1RAB9A
SCHEMBL12879171 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1HDAC7MAOBPSMB5
SCHEMBL24434164 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1MAOBNPC1RAB9A
SCHEMBL30185791 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1MAOBNPC1RAB9A
SCHEMBL30125142 0.80 MAOB (0.51) ALDH1A1MAPK1MAOBNPC1RAB9A
SCHEMBL3005820 0.79 ELANE (0.52) ALDH1A1MAPK1HDAC7MAOBPSMB5
SCHEMBL28873461 0.79 NPC1 (0.50) MAPK1MAOBESR2NPC1RAB9A
SCHEMBL23618542 0.79 ESR2 (0.42) ALDH1A1ESR2KMT2ATP53SMN1; SMN2

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
CN-118108679-A Preparation method of N- (triphenylmethyl) -5- (4' -methylbiphenyl-2-yl) tetrazole 南京法恩化学有限公司 2024-05-31 CN claimed
CN-118221603-A Preparation method of valsartan 南京法恩化学有限公司 2024-06-21 CN disclosed
CN-118108679-A Preparation method of N- (triphenylmethyl) -5- (4' -methylbiphenyl-2-yl) tetrazole 南京法恩化学有限公司 2024-05-31 CN disclosed
CN-118108679-A Preparation method of N- (triphenylmethyl) -5- (4' -methylbiphenyl-2-yl) tetrazole 南京法恩化学有限公司 2024-05-31 CN disclosed
US-11832513-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-11-28 US disclosed
EP-4242286-A2 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2023-09-13 EP disclosed
EP-3714022-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-07 EP disclosed
US-20220102654-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-03-31 US disclosed
CN-112480160-B Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative 清华大学 2022-02-11 CN disclosed
CN-112480160-A Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative 清华大学 2021-03-12 CN disclosed
WO-2016074755-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-05-19 WO disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
CN-104326952-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-02-04 CN disclosed
CN-104277004-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-01-14 CN disclosed
WO-2014090368-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-06-19 WO disclosed
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN disclosed
CN-102627524-A 9,9'-dianthracene derivative XIAN MODERN CHEMISTRY RES INST 2012-08-08 CN disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 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-11832513-B2 Materials for electronic devices PNMT, DDT, COMT ALDH1A1 321/4885MAPK1 2720/4885HDAC7 4406/4885
US-20220102654-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE OCIAD1, ORC3, LIG1 ALDH1A1 28/4885MAPK1 1829/4885HDAC7 4112/4885

“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.