SCHEMBL3854415

SCHEMBL3854415

O=C(O)COc1ccc(CBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
FFAR1 O14842 1/20 0.55
PTPN7 P35236 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
PTPN12 Q05209 1/20 0.53
TBXAS1 P24557 3/20 0.50
TSHR P16473 2/20 0.50
PPARD Q03181 2/20 0.50
PPARG P37231 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NR4A1 P22736 1/20 0.50
APEX1 P27695 1/20 0.50
PPARA Q07869 1/20 0.48
TBXA2R P21731 1/20 0.48
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL339492 0.85 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL4883574 0.84 PTPN7 (0.65) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL2798360 0.82 MEN1 (0.47) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL166364 0.82 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL2642068 0.82 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL9832704 0.82 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL27869587 0.81 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL436174 0.80 MAPT (0.60) ALOX15ALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL10399496 0.80 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL4781395 0.80 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376218-B1 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS INC (US) 1999-02-24 EP claimed
EP-0434034-A1 Oxazole derivatives Bristol-Myers Squibb Company (US) 1991-06-26 EP claimed
EP-0376218-A2 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS, INC. (US) 1990-07-04 EP claimed
US-9278951-B2 Azolium and purinium salt anticancer and antimicrobial agents THE UNIVERSITY OF AKRON (US) 2016-03-08 US disclosed
US-9278951-B2 Azolium and purinium salt anticancer and antimicrobial agents THE UNIVERSITY OF AKRON (US) 2016-03-08 US disclosed
US-9278951-B2 Azolium and purinium salt anticancer and antimicrobial agents THE UNIVERSITY OF AKRON (US) 2016-03-08 US disclosed
US-9212196-B2 Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof UNIVERSITE PARIS DESCARTES (FR) 2015-12-15 US disclosed
US-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS THE UNIVERSITY OF AKRON 2014-05-22 US disclosed
US-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS THE UNIVERSITY OF AKRON 2014-05-22 US disclosed
US-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS THE UNIVERSITY OF AKRON 2014-05-22 US disclosed
US-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVWESITE D"AUVERGNE (FR) 2014-04-17 US disclosed
EP-0376218-B1 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS INC (US) 1999-02-24 EP disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed
US-5418250-A Hypotensive SMITHKLINE BEECHAM CORPORATION (US) 1995-05-23 US disclosed
US-5262540-A FOR INHIBITION OF BLOOD PLATELET AGGREGATION IN MAMMALS BRISTOL-MYERS SQUIBB COMPANY (US) 1993-11-16 US disclosed
US-5187270-A Solid phase synthesis of peptides using the reaction product of an N-protected amino acid and a 2,4-dichlorophenyl (4-halo methylphenoxy)acetate; efficiency; purity; kinetics MILLIPORE CORPORATION (US) 1993-02-16 US disclosed
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 US disclosed
EP-0434034-A1 Oxazole derivatives Bristol-Myers Squibb Company (US) 1991-06-26 EP disclosed
EP-0376218-A2 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS, INC. (US) 1990-07-04 EP disclosed
US-4461905-A THROMBOXANE SYNTHETASE INHIBITOR INTERMEDIATE ONO PHARMACEUTICAL CO., LTD. (JP) 1984-07-24 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 (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-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS PCNA, ITPA, MPI ALOX15 4639/4885ALDH1A1 3117/4885SMN1; SMN2 3715/4885
US-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF HCAR3, HRH3, SSTR3 ALOX15 2716/4885ALDH1A1 1395/4885SMN1; SMN2 2789/4885

“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.