SCHEMBL2581836

SCHEMBL2581836

C=C(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 2/20 0.47
C1S P09871 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
PTGS2 P35354 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL271385 0.85 L3MBTL1 (0.52) ALDH1A1HPGDL3MBTL1
SCHEMBL28771843 0.85 PARP1 (0.53) PARP1ALDH1A1TP53HPGDC1S
SCHEMBL1381245 0.82 PARP1 (0.66) PARP1ALDH1A1TP53HPGDC1S
SCHEMBL27934182 0.81 PARP1 (0.53) PARP1ALDH1A1TP53HPGDC1S
SCHEMBL2684848 0.79 PARP1 (0.61) PARP1ALDH1A1TP53HPGDC1S
SCHEMBL29537403 0.79 PARP1 (0.65) PARP1ALDH1A1TP53HPGDC1S
SCHEMBL5023 0.79 PARP1 (0.65) PARP1ALDH1A1TP53HPGDC1S
SCHEMBL322248 0.78 PARP1 (0.50) PARP1ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL21312125 0.78 C1S (0.59) PARP1ALDH1A1TP53HPGDC1S
SCHEMBL1137535 0.78 CA12 (0.63) PARP1ALDH1A1GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015505-B1 PRODUCTION OF PHOTOPOLYMERIZED POLYESTER HIGH INDEX OPHTHALMIC LENSES SIGNET ARMORLITE INC (US) 2005-03-09 EP claimed
EP-0783710-B1 POLYESTER RESIN-BASED HIGH INDEX OPHTHALMIC LENSES HAVING IMPROVED OPTICAL UNIFORMITY AND/OR TINTABILITY SIGNET ARMORLITE INC (US) 2002-05-29 EP claimed
CN-109369637-B Novel kojic acid derivative containing 1,3, 4-thiadiazole and application thereof 湖南科技大学 2021-04-06 CN disclosed
CN-109369637-A The novel derivative of kojic acid of one kind thiadiazoles containing 1,3,4- and its application 湖南科技大学 2019-02-22 CN disclosed
CN-105566021-B A kind of α, the preparation method of beta-unsaturated carboxylic acid class compound 中国科学技术大学 2018-05-29 CN disclosed
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
US-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US disclosed
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics BERNARDON JEAN-MICHEL 2003-07-17 US disclosed
US-20030060491-A1 Bicyclic aromatic compounds BERNARDON JEAN-MICHEL (FR) 2003-03-27 US disclosed
US-6515021-B1 Bicyclic aromatic compounds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2003-02-04 US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
US-6147255-A TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH KERATINIZATION DISORDER WHICH HAS EFFECT ON DIFFERENTIATION AND ON PROLIFERATION CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-11-14 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 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-20030060491-A1 Bicyclic aromatic compounds MITF, TYR, PAH PARP1 2795/4885ALDH1A1 154/4885TP53 1645/4885
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 PARP1 4626/4885ALDH1A1 2487/4885TP53 2168/4885
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics MITF, TYR, PAH PARP1 3341/4885ALDH1A1 29/4885TP53 2036/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 PARP1 4628/4885ALDH1A1 2499/4885TP53 2139/4885

“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.