SCHEMBL5749580

SCHEMBL5749580

CC(C)(C)Oc1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
CETP P11597 1/20 0.43
ENPP2 Q13822 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TTR P02766 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
KDR P35968 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL29827047 1.00 TSHR (0.44) TSHRSMN1; SMN2PPARGPPARACETP
SCHEMBL8045788 0.85 CYP4F2 (0.56) TSHRPPARGPPARACETPCYP4F2
SCHEMBL15604652 0.84 F10 (0.43) TSHRSMN1; SMN2PPARGPPARACETP
SCHEMBL9621500 0.82 KDM4E (0.45) TSHRSMN1; SMN2PPARGPPARACETP
SCHEMBL2903721 0.81 MAOB (0.47) SMN1; SMN2PPARGPPARACETPENPP2
SCHEMBL92907 0.81 CETP (0.55) CETP
SCHEMBL14667219 0.81 PPARA (0.43) PPARGPPARACETPCMA1
SCHEMBL8048535 0.81 CHRM2 (0.43) PPARGPPARACETPCMA1
SCHEMBL3364653 0.81 CETP (0.40) TSHRSMN1; SMN2PPARGPPARACETP
SCHEMBL6411834 0.81 CETP (0.40) PPARGPPARACETPCMA1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN RESEARCH & DEVELOPMENT, LLC 2024-05-16 US disclosed
EP-4284801-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
US-11780961-B2 Organic metal-free catalysts with electrophilic and nucleophilic dual-functions, preparation methods of making the same, and uses thereof ZHEJIANG UNIVERSITY (CN) 2023-10-10 US disclosed
WO-2022165529-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 WO disclosed
US-20210363297-A1 ORGANIC METAL-FREE CATALYSTS WITH ELECTROPHILIC AND NUCLEOPHILIC DUAL-FUNCTIONS, PREPARATION METHODS OF MAKING THE SAME, AND USES THEREOF ZHEJIANG UNIVERSITY (CN) 2021-11-25 US disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 US disclosed
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 US disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed
US-6566385-B2 And the prenylation of the oncogene protein Ras; peptidomimetic macrocyclic compounds MERCK & CO., INC. 2003-05-20 US disclosed
US-20020099007-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-07-25 US disclosed
WO-2001051127-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 WO disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 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 (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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 TSHR 129/4885SMN1; SMN2 1130/4885PPARG 66/4885
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP TSHR 3729/4885SMN1; SMN2 4771/4885PPARG 905/4885
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 TSHR 4262/4885SMN1; SMN2 3223/4885PPARG 4017/4885
US-20020099007-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS TSHR 3823/4885SMN1; SMN2 4670/4885PPARG 3902/4885
US-11780961-B2 Organic metal-free catalysts with electrophilic and nucleophilic dual-functions, preparation methods of making the same, and uses thereof DUOX1, SOD1, DUOX2 TSHR 4669/4885SMN1; SMN2 2861/4885PPARG 4421/4885
US-20210363297-A1 ORGANIC METAL-FREE CATALYSTS WITH ELECTROPHILIC AND NUCLEOPHILIC DUAL-FUNCTIONS, PREPARATION METHODS OF MAKING THE SAME, AND USES THEREOF DUOX1, SOD1, DUOX2 TSHR 4669/4885SMN1; SMN2 2861/4885PPARG 4421/4885

“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.