SCHEMBL10130976

SCHEMBL10130976

CC(C)Cc1ccc(C=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DPP4 P27487 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PRF1 P14222 1/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL8701373 0.82 ALDH1A1 (0.38) ALDH1A1ADRA1DADRA1AADRA1BDPP4
SCHEMBL16901817 0.81 ALDH1A1 (0.40) ALDH1A1ADRA1DADRA1AADRA1BDPP4
SCHEMBL28388882 0.80 PRSS1 (0.44) ALDH1A1HPGDADRA1DADRA1AADRA1B
SCHEMBL10160841 0.80 ALDH1A1 (0.42) ALDH1A1HPGDCYP2A6CYP2E1CYP3A4
SCHEMBL18783165 0.80 ALDH1A1 (0.39) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL21524054 0.78 ALDH1A1 (0.38) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL24025437 0.78 ALDH1A1 (0.38) ALDH1A1HPGDADRA1DADRA1AADRA1B
SCHEMBL10024837 0.78 HPGD (0.48) ALDH1A1HPGDCYP2C9GABRA1GABRB2
SCHEMBL14260574 0.77 ALDH1A1 (0.37) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL158329 0.77

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
CN-119505435-A Composite current collector containing PTC material and preparation method thereof 艾姆西艾(宿迁)电池技术有限公司 2025-02-25 CN claimed
CN-119505435-A Composite current collector containing PTC material and preparation method thereof 艾姆西艾(宿迁)电池技术有限公司 2025-02-25 CN disclosed
EP-2861570-B1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES UNIV RUTGERS (US) 2018-07-18 EP disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
CN-1009553-B PREPARATION METHOD OF COMPOUNDS OF 5,6-DIHYDRO-4H-CYOCLOPENTADIENE (B) THIOPHENE-6-CARBOXYLIC ACID LYON INDUSTRAL MEDICINE CO (FR) 1990-09-12 CN disclosed
US-4649153-A ANTIINFLAMMATORY, ANALGESICS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1987-03-10 US disclosed
CN-85106178-A 5,6 dihydros-4H-cyclopenta (b) thiophene-6-carboxylic acid compound and contain the preparation method of the medicine of these compounds 1987-03-04 CN 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 (6 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885ADRA1D 1905/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885ADRA1D 1905/4885
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL ALDH1A1 1785/4885HPGD 2223/4885ADRA1D 4377/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885ADRA1D 1905/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C ALDH1A1 1561/4885HPGD 2441/4885ADRA1D 4360/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885ADRA1D 1905/4885

“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.