SCHEMBL10041460

SCHEMBL10041460

Cc1ccc2cc(C(C)C(=O)O)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 14/20 0.65
▸ AKR1C2 P52895 14/20 0.65
▸ PTGS2 P35354 5/20 0.65
▸ PTGS1 P23219 3/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CDC42 P60953 1/20 0.65
▸ RAC1 P63000 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ SLC22A6 Q4U2R8 1/20 0.65
▸ AKR1B1 P15121 1/20 0.54
▸ CYP2A6 P11509 1/20 0.48

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
SCHEMBL11460825 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL2600793 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
Ammonia Solution, Strong SCHEMBL11722197 0.98 AKR1C3 (0.63) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL11459076 0.95 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL17369634 0.89 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL15695568 0.89 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL27634477 0.87 CYP1A2 (0.50) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL11470486 0.85 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL11721635 0.84 CYP1A2 (0.46) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL14983577 0.84 CYP1A2 (0.46) AKR1C3AKR1C2PTGS2PTGS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 — — US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 — — US disclosed
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 — — US disclosed
US-20160296623-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS INCEPT, LLC 2016-10-13 — — US disclosed
US-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. 2016-07-14 — — US disclosed
US-9370485-B2 Hydrogel polymeric compositions and methods INCEPT, LLC (US) 2016-06-21 — — US disclosed
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 — — US disclosed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 — — US disclosed
US-20140363498-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS INCEPT LLC 2014-12-11 — — US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 — — US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 — — US disclosed
US-8563027-B2 Drug delivery through hydrogel plugs INCEPT, LLC (US) 2013-10-22 — — US disclosed
US-20130172268-A1 DRUG DELIVERY THROUGH HYDROGEL PLUGS INCEPT, LLC (US) 2013-07-04 — — US disclosed
US-8303978-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-11-06 — — US disclosed
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOCHEMICAL, LLC (US) 2012-02-09 — — US disclosed
US-20120010168-A1 Unique Dual-Action Therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-12 — — US disclosed
US-20070281028-A1 Drug Delivery of a Cox Inhibitor from Embolic Agents BIOCOMPATIBLES UK LIMITED (GB) 2007-12-06 — — US disclosed
US-20070281028-A1 Drug Delivery of a Cox Inhibitor from Embolic Agents BIOCOMPATIBLES UK LIMITED (GB) 2007-12-06 — — US disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 — — US disclosed
US-3958012-A ANTIINFLAMMATORY, ANALGESIC AND ANTIPYRETIC ACTIVITY SYNTEX CORPORATION (US) 1976-05-18 — — 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 (12 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-20140363498-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS UACA, CRYAA, CRYAB AKR1C3 3813/4885AKR1C2 3765/4885PTGS2 326/4885
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 AKR1C3 2456/4885AKR1C2 2270/4885PTGS2 4/4885
US-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS PTGS2, PTGES2, TOP2A AKR1C3 2396/4885AKR1C2 2250/4885PTGS2 1/4885
US-20120010168-A1 Unique Dual-Action Therapeutics ACHE, PDE1A, PDE1C AKR1C3 217/4885AKR1C2 273/4885PTGS2 17/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 AKR1C3 2812/4885AKR1C2 2722/4885PTGS2 9/4885
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS ACHE, PDE1A, PDE1C AKR1C3 217/4885AKR1C2 273/4885PTGS2 17/4885
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 AKR1C3 314/4885AKR1C2 333/4885PTGS2 59/4885
US-20160296623-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS CRYAA, CRYAB, UACA AKR1C3 4118/4885AKR1C2 3900/4885PTGS2 253/4885
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE DDT, HPD, PAH AKR1C3 440/4885AKR1C2 921/4885PTGS2 1236/4885
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 AKR1C3 1349/4885AKR1C2 662/4885PTGS2 585/4885
US-20130172268-A1 DRUG DELIVERY THROUGH HYDROGEL PLUGS AQP1, AQP4, AQP3 AKR1C3 4604/4885AKR1C2 4730/4885PTGS2 366/4885
US-20070281028-A1 Drug Delivery of a Cox Inhibitor from Embolic Agents PTGER1, PTGS1, PTGES AKR1C3 2518/4885AKR1C2 1913/4885PTGS2 8/4885

“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