SCHEMBL10197010

SCHEMBL10197010

CCCCOc1c(C(=O)Oc2ccccc2)c(C)cc2c(O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
DHODH Q02127 1/20 0.39
FAAH O00519 7/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
PLA2G2A P14555 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10196582 0.88 THRA (0.40) DHODHFAAHMAPTPLA2G2ALMNA
SCHEMBL10196117 0.87 MEN1 (0.43) HSD17B10MAPTPLA2G2ALMNA
SCHEMBL10161338 0.85 HPGD (0.46) PTPN1HPGDALOX15HSD17B10MAPT
SCHEMBL13072201 0.80 CNR2 (0.41) FAAHHPGDCYP1A2CYP2C19
SCHEMBL10196586 0.78 ATM (0.42) FAAHMAPTPLA2G2ALMNACYP1A2
SCHEMBL13417394 0.74 FAAH (0.42) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL10196157 0.74 THRA (0.40) HPGDMAPTPLA2G2ACYP1A2CYP2C9
SCHEMBL10107515 0.74 LMNA (0.44) FAAHMAPTLMNACYP1A2CYP2C9
SCHEMBL10161340 0.73 THRA (0.42) PTPN1HPGDHSD17B10MAPTLMNA
SCHEMBL13072442 0.73 THRA (0.45) DHODHHSD17B10PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
WO-2010132670-A2 PENTACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-18 WO 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A PTPN1 1410/4885DHODH 1600/4885FAAH 4041/4885

“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.