SCHEMBL39201

SCHEMBL39201

CCC(C)c1cccc(C(=O)O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALB P02768 1/20 0.46
MMP2 P08253 1/20 0.46
SELPLG Q14242 1/20 0.44
HMGB1 P09429 1/20 0.44
HNF4A P41235 1/20 0.43
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL27352375 0.98 TSHR (0.50) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28791579 0.87 ALDH1A1 (0.47) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8878990 0.86 ALDH1A1 (0.50) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1904536 0.84 TSHR (0.57) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21961149 0.84 TSHR (0.57) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8878981 0.83 TSHR (0.49) TSHRALDH1A1HPGDKDM4ESELPLG
Acetic Acid SCHEMBL16667025 0.83 ALDH1A1 (0.47) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1353325 0.83 TSHR (0.47) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14322500 0.83 TSHR (0.47) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL19254798 0.83 TSHR (0.47) TSHRALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed
US-7402380-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-07-22 US disclosed
EP-1358220-B1 CATALYST OBTAINED BY PREPOLYMERIZATION OF POLYOLEFIN AND OLEFIN POLYMERIZATION METHOD USING THE SAME SAMSUNG GENERAL CHEMICALS CO (KR) 2006-11-22 EP disclosed
US-7098285-B2 Catalyst obtained by prepolymerization of polyolefin and olefin polymerization method using the same SAMSUNG ATOFINA CO., LTD. (KR) 2006-08-29 US disclosed
EP-1301545-B1 A CATALYST FOR OLEFIN POLYMERIZATION AND METHOD OF OLEFIN POLYMERIZATION USING THE SAME SAMSUNG GENERAL CHEMICALS CO (KR) 2006-05-31 EP disclosed
US-6884746-B2 Catalysts for olefin polymerization and method of olefin polymerization using the same SAMSUNG GENERAL CHEMICALS, CO., LTD. (KR) 2005-04-26 US disclosed
EP-1301545-A4 A CATALYST FOR OLEFIN POLYMERIZATION AND METHOD OF OLEFIN POLYMERIZATION USING THE SAME SAMSUNG GENERAL CHEMICALS CO (KR) 2005-01-19 EP disclosed
EP-1358220-A4 CATALYST OBTAINED BY PREPOLYMERIZATION OF POLYOLEFIN AND OLEFIN POLYMERIZATION METHOD USING THE SAME SAMSUNG GENERAL CHEMICALS CO (KR) 2004-06-09 EP disclosed
WO-2001098375-A1 A CATALYST FOR OLEFIN POLYMERIZATION AND METHOD OF OLEFIN POLYMERIZATION USING THE SAME SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2001-12-27 WO disclosed
US-5034370-A Reaction product of a salicylic acid derivative with formaldehyde and an aromatic compound SUMITOMO DUREZ COMPANY, LTD. (JP) 1991-07-23 US disclosed
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
US-4355070-A COLOR FORMER, DEVELOPER, HEAT FUSIBLE MATERIAL AND OIL ABSORPTIVE PIGMENT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1982-10-19 US disclosed
US-4311758-A INORGANIC PIGMENTS IN THE COLOR DEVELOPER LAYER KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1982-01-19 US disclosed
US-4236732-A COLOR DEVELOPING LAYER CONTAINING PARTICLES OF A CHROMOGENIC MATERIAL, AN ACCEPTOR AND A HEAT FUSIBLE MATERIAL KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1980-12-02 US disclosed
US-4228222-A COLOR DEVELOPING LAYER INCLUDING WATER SOLUBLE RESIN AS BINDER KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1980-10-14 US disclosed
US-4168845-A Heat-sensitive record material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1979-09-25 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 (1 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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT TSHR 2587/4885ALDH1A1 347/4885HPGD 457/4885

“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.