SCHEMBL542575

SCHEMBL542575

CCCc1cc(C(=O)O)ccc1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
RXRA P19793 3/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LMNA P02545 1/20 0.45
THRA P10827 1/20 0.44
PPARG P37231 1/20 0.43
PTPN1 P18031 2/20 0.42
BCL2 P10415 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL31307947 0.87 TSHR (0.61) TSHRLMNAPTPN1BCL2PTPN2
SCHEMBL566628 0.85 RXRA (0.47) TSHRRXRAPPARGPTPN1
SCHEMBL8984332 0.80 ACE2 (0.49) TSHRRXRAPPARGPTPN1
SCHEMBL14922850 0.80 ALDH1A1 (0.48) TSHRRXRAPPARGPTPN1
SCHEMBL6493687 0.79 TSHR (0.56) TSHRLDHALDHBRXRALMNA
SCHEMBL27510579 0.79 TSHR (0.56) TSHRLDHALDHBRXRALMNA
SCHEMBL20362631 0.79 ALOX5 (0.61) LDHALDHBMTNR1AMTNR1BBCL2
SCHEMBL8095678 0.78 CALM1 (0.44) LDHALDHBMTNR1AMTNR1BLMNA
SCHEMBL6772376 0.78 TSHR (0.69) TSHRLMNAPTPN1BCL2PTPN2
SCHEMBL9651071 0.77 MEN1 (0.59) TSHRPTPN1BCL2PTPN2PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101595096-B Substituted carbinol compounds KOWA CO JP 2012-06-27 CN disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
CN-101595096-A Substituted carbinol compounds KOWA CO (JP) 2009-12-02 CN disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 TSHR 2854/4885LDHA 3953/4885LDHB 3353/4885

“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.