SCHEMBL1354

SCHEMBL1354

COc1ccc(C(O[C]=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACP3 P15309 1/20 0.42
SLC2A1 P11166 1/20 0.41
ACHE P22303 2/20 0.41
GAA P10253 1/20 0.41
AOC3 Q16853 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11084293 0.93 ACP3 (0.53) ALDH1A1L3MBTL1RAB9AKMT2AACP3
SCHEMBL8716433 0.82 RAB9A (0.46) CA1CA2CA12CA7CA9
SCHEMBL27822368 0.80 CA1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL11089849 0.78 CHRNA7 (0.38) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL11228132 0.75 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL3389444 0.75 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL5546047 0.74 IDO1 (0.50) TDP1TSHRMAPK1AOC3SMN1; SMN2
SCHEMBL5545227 0.74 IDO1 (0.52) ALDH1A1TSHRAOC3CYP1A2CYP2D6
SCHEMBL6447670 0.74 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL17616547 0.73 ACP3 (0.49) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed
EP-0046734-A2 Aminohydroxyphenyl derivatives of cephalosporins, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-03-03 EP claimed
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US claimed
US-4185014-A Kentenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-22 US claimed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US claimed
EP-2464623-B1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2020-11-04 EP disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8507673-B2 Process for preparing 5,7 diaminopyrazolo [1,5-A] pyrimidine compounds EMORY UNIVERSITY (US) 2013-08-13 US disclosed
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2012-06-28 US disclosed
EP-2464623-A1 THE RING OPENING OF LACTONES AND LACTAMS Novartis AG (CH) 2012-06-20 EP disclosed
US-20120041198-A1 Process for Preparing 5,7 Diaminopyrazolo [1,5-a] Pyrimidine Compounds EMORY UNIVERSITY 2012-02-16 US disclosed
US-8034810-B2 Matrix metalloproteinase inhibitors; antiinflammatory agengs; rheumatoid arthritis, osteoarthritis; antitumor, anticarcinogenic, and antimetastasis agents; respiratory system disorders, chronic obstructive pulmonary disease, deblocking, deprotecting NOVARTIS AG (CH) 2011-10-11 US disclosed
US-4160837-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed
EP-0000500-A2 Cephalosprin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-02-07 EP disclosed
US-4115566-A 7α Ureido cephem-4-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-4089955-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1978-05-16 US disclosed
US-4069324-A CEPHALOSPORIN ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US disclosed
US-3996208-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1976-12-07 US disclosed
US-3954802-A Substituted-ureido derivatives of penam 3-carboxylic acid and cephem 4-carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-05-04 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-20120041198-A1 Process for Preparing 5,7 Diaminopyrazolo [1,5-a] Pyrimidine Compounds DPYD, NUDT1, UMPS CA1 3692/4885CA2 3969/4885CA12 4716/4885
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS LSS, APH1A, OTUB1 CA1 1473/4885CA2 3701/4885CA12 1480/4885

“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.