Sugi Predict

Sugi Predict / Compounds / SCHEMBL3638469

SCHEMBL3638469

SCHEMBL3638469

O=C1Cc2ccccc2Cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.67
▸ BCHE P06276 1/20 0.67
▸ MAOA P21397 3/20 0.65
▸ ALDH1A1 P00352 8/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2A6 P11509 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ TDP2 O95551 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CASP9 P55211 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ MAP3K14 Q99558 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL31392106 1.00 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL31070117 0.95 — —
SCHEMBL8035811 0.95 CES1 (0.73) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL569873 0.95 — —
SCHEMBL7838129 0.86 CES1 (0.60) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL976344 0.85 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL29684343 0.85 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL32671773 0.85 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL29848510 0.85 CES1 (0.67) CES1BCHEMAOAALDH1A1KDM4E
SCHEMBL13979645 0.83 ALDH1A1 (0.53) CES1BCHEMAOAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160351825-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME DOOSAN CORPORATION (KR) 2016-12-01 — — US disclosed
US-20160226000-A1 ORGANIC LIGHT-EMITTING DEVICE SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20140221468-A1 Compounds that Modulate Store Operated Calcium Channels THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-08-07 — — US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 — — US disclosed
US-20100190764-A1 Novel compounds GLAXO GROUP LIMITED 2010-07-29 — — US disclosed
EP-2170807-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR Glaxo Group Limited (GB) 2010-04-07 — — EP disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 — — WO disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 — — WO disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 — — EP disclosed
US-4070387-A ANTIARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1978-01-24 — — US disclosed
US-4054569-A CNS DEPRESSANTS, ANTICONVULSIVES, ANTIINFLAMMATORY AYERST MCKENNA & HARRISON LTD. (CA) 1977-10-18 — — US disclosed
US-4020096-A ANTIARRYTHMIA MERCK & CO., INC. (US) 1977-04-26 — — US disclosed
US-3988342-A TRANQUILIZERS MERCK & CO., INC. (US) 1976-10-26 — — US disclosed
US-3985751-A CNS DEPRESSANTS, ANTICONVULSANT AND ANTIINFLAMMATORY AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1976-10-12 — — US disclosed
US-3981876-A ANTIHISTAMINES, APPETITE STIMULANTS MERCK & CO., INC. (US) 1976-09-21 — — US disclosed
US-3968115-A OR 11)-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-YLIDENE PIPERIDINE COMPOUNDSANTIHISTAMINE, APPETITE STIMULANT MERCK & CO., INC. (US) 1976-07-06 — — US disclosed
US-3960872-A ANTIHISTAMINES, APPETITE STIMULANT MERCK & CO., INC. (US) 1976-06-01 — — US disclosed
US-3950423-A 10,11-Dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cycloheptene-5-methylamines MERCK & CO., INC. (US) 1976-04-13 — — 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 (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-20100190764-A1 Novel compounds HCRTR1, HCRTR2, CNR1 CES1 542/4885BCHE 1972/4885MAOA 1499/4885
US-20140221468-A1 Compounds that Modulate Store Operated Calcium Channels CACNA1C, SARAF, CACNA1G CES1 3400/4885BCHE 1569/4885MAOA 2081/4885
US-20160351825-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OR10J3, ORAI2, ETV6 CES1 3918/4885BCHE 1725/4885MAOA 714/4885
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor HCRTR1, HCRTR2, HRH3 CES1 1310/4885BCHE 2209/4885MAOA 888/4885

“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.