SCHEMBL3209623

SCHEMBL3209623

COc1[c]ccc(N(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
CALM1 P0DP23 2/20 0.34

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
SCHEMBL15475170 0.80 CALM1 (0.30) CALM1
SCHEMBL10742451 0.79 ELANE (0.36) ALDH1A1TSHRHSD17B10ALOX15APP
SCHEMBL8128063 0.79 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10ALOX15TERT
SCHEMBL11643095 0.78 EGFR (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2040143 0.78 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10KDM4EGAA
SCHEMBL12466363 0.76 MTNR1A (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1419133 0.73 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10ALOX15APP
SCHEMBL4858324 0.73 CYP3A4 (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL10399292 0.72 CYP2C19 (0.45) ALDH1A1TSHRCALM1KDM4EGAA
SCHEMBL11644681 0.72 NR5A1 (0.37) ALDH1A1TSHRLMNA

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
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US claimed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed
US-4966983-A PRESSURE OR HEAT SENSITIVE ELEMENTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 US disclosed
US-4843145-A Catalytic polymerization of CO/olefin with ortho polar substituted aryl bidentate p ligand SHELL OIL COMPANY (US) 1989-06-27 US disclosed
US-4841050-A Carbazole containing benzopyrans BASF AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0236973-B1 BENZOPYRANES AND THEIR USE IN A RECORDING SYSTEM BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 US disclosed
EP-0236973-A2 Benzopyranes and their use in a recording system BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed
WO-1984000166-A1 BENZOIC ACID PIPERIDYL ESTER DERIVATIVES AND METHOD OF PRODUCTION AND UTILIZATION THEREOF SANDOZ AG (CH) 1984-01-19 WO disclosed
US-4119776-A Vinyl phthalide color formers NCR CORPORATION (US) 1978-10-10 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 TUBB4A 543/4885TUBB 800/4885TUBA3C 1358/4885
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 TUBB4A 3492/4885TUBB 2461/4885TUBA3C 3287/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 TUBB4A 357/4885TUBB 222/4885TUBA3C 403/4885

“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.