SCHEMBL7968434

SCHEMBL7968434

Cc1ccc(C(=O)O)cc1CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.49
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MYC P01106 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
PTPN7 P35236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM1 Q13255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 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
SCHEMBL16494602 0.86 HTT (0.48) MRGPRX4TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL6135979 0.85 EPHX2 (0.51) TSHRSMN1; SMN2ALDH1A1MYCESR1
SCHEMBL27637429 0.84 MRGPRX4 (0.51) MRGPRX4TSHRSMN1; SMN2ALDH1A1MYC
SCHEMBL3258577 0.84 ALDH1A1 (0.52) MRGPRX4TSHRSMN1; SMN2ALDH1A1MYC
SCHEMBL30006284 0.83 PARP1 (0.44) SMN1; SMN2ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL11427122 0.82 PKM (0.52) MRGPRX4TSHRSMN1; SMN2ALDH1A1MYC
SCHEMBL3980824 0.82 TSHR (0.46) TSHRALDH1A1GAATP53KDM4E
SCHEMBL30028599 0.82 TSHR (0.46) TSHRALDH1A1GAATP53KDM4E
SCHEMBL15592321 0.81 MRGPRX4 (0.47) MRGPRX4TSHRSMN1; SMN2ALDH1A1MYC
SCHEMBL14722946 0.81 MRGPRX4 (0.47) MRGPRX4TSHRSMN1; SMN2ALDH1A1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303415-B1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC (CH) 2022-12-28 EP disclosed
US-10324311-B2 Visible-light photoinitiators and uses thereof NOVARTIS AG (CH) 2019-06-18 US disclosed
EP-3303415-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF Novartis AG (CH) 2018-04-11 EP disclosed
WO-2016193912-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 WO disclosed
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC. (CH) 2016-12-08 US disclosed
CN-103097365-B 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO S.A. (CH) 2016-02-24 CN disclosed
EP-2831090-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS The Regents of The University of California (US) 2015-02-04 EP disclosed
WO-2013148727-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-03 WO disclosed
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6103926-A DIRECT PREPARATION OF A (1-HALOALKYL)BENZOIC ACID ESTER FROM AN ALKYLBENZOIC ACID ESTER BY SLOWLY FEEDING HALOGEN CONTINUOUSLY AND/OR INTERMITTENTLY TO AN AGITATED SOLUTION OF SAID ALKYLBENZOIC ACID ESTER IN A LIQUID HALOGEN-CONTAINING ALBEMARLE CORPORATION (US) 2000-08-15 US disclosed
US-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 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-10324311-B2 Visible-light photoinitiators and uses thereof SIRT5, IK, IGLV6-57 MRGPRX4 4778/4885TSHR 3033/4885SMN1; SMN2 4875/4885
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF SIRT5, IK, IGLV6-57 MRGPRX4 4778/4885TSHR 3033/4885SMN1; SMN2 4875/4885

“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.