SCHEMBL911040

SCHEMBL911040

CC([C]=O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
TSHR P16473 2/20 0.52
POLB P06746 2/20 0.42
LMNA P02545 4/20 0.38
CA2 P00918 4/20 0.38
HPGD P15428 4/20 0.38
CYP3A4 P08684 3/20 0.38
CA1 P00915 3/20 0.38
BLM P54132 2/20 0.38
HIF1A Q16665 2/20 0.38
PTGS1 P23219 2/20 0.38
FAAH O00519 1/20 0.38
CYP1A2 P05177 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL6141021 0.78 CYP3A4 (0.40) CYP3A4HIF1AMAPTALDH1A1KMT2A
SCHEMBL1874935 0.78 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL11208061 0.77 GABRA1 (0.50) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL5424279 0.77 GABRA1 (0.56) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL27568004 0.77 GABRA1 (0.95) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL4429090 0.76 GABRA1 (0.48) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL9165861 0.76 ESR1 (0.46) GABRA1GABRB2TSHRLMNASLC6A2
SCHEMBL910441 0.76 ESR1 (0.46) GABRA1GABRB2TSHRLMNASLC6A2
SCHEMBL9210107 0.75 GABRA1 (0.54) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL9290334 0.75 GABRA1 (0.65) GABRA1GABRB2TSHRPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635878-A2 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2006-03-22 EP claimed
WO-2004112840-A2 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2004-12-29 WO claimed
US-4563305-A QUANTITATIVE ANALYSIS UNIVERSITY OF MIAMI (US) 1986-01-07 US claimed
EP-0056015-A1 Radiolabelled substrates for assaying mammalian enzymes Ryan, James Walter (US) 1982-07-14 EP claimed
CN-111329775-A Isobutyramide derivative and use thereof 福建莲珂科技有限公司 2020-06-26 CN disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
EP-1370276-B1 INTERCELLULAR COMMUNICATION FACILITATING COMPOUNDS AND THEIR MEDICAL USE ZEALAND PHARMA AS (DK) 2011-02-09 EP disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-7737113-B2 Cyclic and linear oligopeptides; capable of increasing gap junction conductance; lack the proarrhythmic side effects; use as drug to also treat eye disorders, cancer, and gastrointestinal disorders among others ZEALAND PHARMA A/S (DK) 2010-06-15 US disclosed
EP-0056015-A1 Radiolabelled substrates for assaying mammalian enzymes Ryan, James Walter (US) 1982-07-14 EP disclosed
EP-0056015-A1 Radiolabelled substrates for assaying mammalian enzymes Ryan, James Walter (US) 1982-07-14 EP disclosed
EP-0015059-B1 IMMUNOCHEMICAL CONJUGATES: METHOD AND COMPOSITION SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1982-06-30 EP disclosed
US-4276206-A GENERALLY APPLICABLE METHOD OF MAKING IMMUNOSUPPRESSIVE AGENTS SCRIPPS CLINIC & RESEARCH FOUNDATION (US) 1981-06-30 US disclosed
US-4253995-A PURIFICATION BY REACTING WITH BIOTIN AND SEPARATING ON AVIDIN COLUMN SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1981-03-03 US disclosed
US-4253996-A MALEIMIDE DERIVATIVE AS COUPLER FOR POLYPEPTIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1981-03-03 US disclosed
EP-0015059-A2 Immunochemical conjugates: method and composition SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1980-09-03 EP disclosed
US-4220565-A Immunochemical conjugates: method and composition SCRIPPS CLINIC & RESEARCH FOUNDATION (US) 1980-09-02 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-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GABRA1 4400/4885GABRB2 3764/4885TSHR 4711/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 GABRA1 883/4885GABRB2 375/4885TSHR 2401/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GABRA1 1620/4885GABRB2 899/4885TSHR 4731/4885

“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.