SCHEMBL3308807

SCHEMBL3308807

[CH2]C(O)COc1ccccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
CYP1A2 P05177 2/20 0.66
AGTR1 P30556 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
IDO1 P14902 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL11152833 0.85 ALOX15 (0.60) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL29941729 0.84 LMNA (0.82) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL2328960 0.84 LMNA (0.82) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL11096263 0.84 LMNA (0.47) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL1496733 0.82 LMNA (0.68) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL11104803 0.81 KDM4E (0.66) LMNACYP1A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL10386574 0.80 LMNA (0.45) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
Guaifenesin SCHEMBL4322 0.79 CYP1A2 (1.00) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
Guaifenesin SCHEMBL4321 0.79 CYP1A2 (1.00) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
SCHEMBL14112094 0.79 LMNA (0.74) LMNACYP1A2AGTR1SMN1; SMN2KDM4E

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
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US claimed
US-4349549-A Anti-hypertensive 1-substituted spiro(piperidine-oxobenzoxazine)s SYNTEX (U.S.A.) INC. (US) 1982-09-14 US claimed
CN-105963676-A Agonists of guanylate cyclase useful for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstone, obesity and other cardiovascular diseases 药物协和股份有限公司 2016-09-28 CN disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
CN-103130684-A Polymorphism of methocarbamol dipotassium phosphate and preparation method thereof UNIV NANKAI 2013-06-05 CN disclosed
CN-103130683-A Polymorphism of methocarbamol dihydric phosphate and preparation method thereof UNIV NANKAI 2013-06-05 CN disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
EP-0303227-B1 ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-02-05 EP disclosed
US-4968706-A MUCOLYTIC, ANTITUSSIVE, BRONCHODILATOR, ANTIINFLAMMATORY BOEHRINGER MANNHEIN ITALIA, S.P.A. (IT) 1990-11-06 US disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 LMNA 2206/4885CYP1A2 2073/4885AGTR1 152/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E LMNA 2017/4885CYP1A2 1928/4885AGTR1 137/4885

“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.