SCHEMBL1269502

SCHEMBL1269502

CCOC(=O)C=Cc1cccc(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.63
▸ DPP4 P27487 1/20 0.63
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59
▸ MAOB P27338 2/20 0.57
▸ CYP3A4 P08684 1/20 0.56
▸ FDPS P14324 1/20 0.55
▸ MAOA P21397 1/20 0.52
▸ ALOX5 P09917 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ PTGS2 P35354 1/20 0.51

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
SCHEMBL1269501 1.00 TTR (0.63) TTRDPP4CA12CA1CA2
SCHEMBL4427602 0.92 TTR (0.69) TTRDPP4CA12CA1CA2
SCHEMBL4427604 0.92 TTR (0.69) TTRDPP4CA12CA1CA2
SCHEMBL31109280 0.90 TTR (0.56) TTRDPP4CA12CA1CA2
SCHEMBL20358047 0.89 APP (0.63) TTRDPP4CA12CA1CA2
SCHEMBL20358049 0.89 APP (0.63) TTRDPP4CA12CA1CA2
SCHEMBL3752885 0.87 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL2389918 0.87 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL18608171 0.87 APP (0.65) TTRDPP4ALOX5
SCHEMBL1578505 0.86 KDM4E (0.64) TTRDPP4CA12CA1CA2

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
CN-113135816-A Method for synthesizing photoactive bromohydrin compound 常州大学 2021-07-20 — — CN disclosed
EP-2670731-B1 POSITIVE ALLOSTERIC MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AND USES THEREOF. BIONOMICS LTD (AU) 2016-05-25 — — EP disclosed
US-20150246029-A1 Positive Allosteric Modulators and Uses Thereof MERCK SHARP & DOHME CORP. 2015-09-03 — — US disclosed
US-9096520-B2 Tricyclic ideno-pyrrole derivatives as serotonin receptor modulators ABT HOLDING COMPANY (US) 2015-08-04 — — US disclosed
US-9062013-B2 Positive allosteric modulators of the α7 nicotinic acetylcholine receptor and uses thereof BIONOMICS LIMITED (AU) 2015-06-23 — — US disclosed
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ABT HOLDING COMPANY (US) 2014-07-24 — — US disclosed
US-8716324-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2014-05-06 — — US disclosed
US-20140031395-A1 Positive Allosteric Modulators of the Alpha 7 Nicotinic Acetylcholine Receptor and uses Thereof BIONOMICS LIMITED (AU) 2014-01-30 — — US disclosed
EP-2670731-A1 POSITIVE ALLOSTERIC MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AND USES THEREOF. Bionomics Limited (AU) 2013-12-11 — — EP disclosed
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 — — EP disclosed
EP-0958285-B1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES HOFFMANN LA ROCHE (CH) 2004-01-07 — — EP disclosed
US-6310208-B1 Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines HOFFMANN-LA ROCHE INC. 2001-10-30 — — US disclosed
EP-0958285-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 1999-11-24 — — EP disclosed
WO-1998030546-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-16 — — WO disclosed
US-5360924-A Process for preparing aromatic olefins HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 — — US disclosed
US-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 — — US disclosed
US-4175203-A TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS MERCK & CO., INC. (US) 1979-11-20 — — US disclosed
US-4150235-A ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR MERCK & CO., INC. (US) 1979-04-17 — — US disclosed
US-4140861-A RENAL DISFUNCTION, ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1979-02-20 — — US disclosed
US-4112236-A Interphenylene 8-aza-9-dioxothia-11,12-secoprostaglandins MERCK & CO., INC. (US) 1978-09-05 — — 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 (3 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-20150246029-A1 Positive Allosteric Modulators and Uses Thereof CHRNA7, CHRNA5, CHRNA4 TTR 2094/4885DPP4 1691/4885CA12 3633/4885
US-20140031395-A1 Positive Allosteric Modulators of the Alpha 7 Nicotinic Acetylcholine Receptor and uses Thereof CHRNA7, CHRNA5, CHRNA10 TTR 2158/4885DPP4 2011/4885CA12 3112/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E TTR 2874/4885DPP4 843/4885CA12 4862/4885

“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.

Send feedback