SCHEMBL4093700

SCHEMBL4093700

CC(C)(C)c1ccc(-c2cc(C(=O)O)no2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
PTPN1 P18031 2/20 0.64
HPGD P15428 3/20 0.63
MAPT P10636 3/20 0.63
RECQL P46063 1/20 0.63
CDH1 P12830 1/20 0.55
CTNNB1 P35222 1/20 0.55
TCF7L2 Q9NQB0 1/20 0.55
ACR P10323 1/20 0.53
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
RXRA P19793 1/20 0.52
RAPGEF3 O95398 3/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5375870 0.86 ACR (0.58) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL4398685 0.84 ALDH1A1 (0.66) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL892878 0.81 ALDH1A1 (0.72) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL1686535 0.80 ACR (0.56) ALDH1A1HPGDMAPTACRLMNA
SCHEMBL72786 0.80 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL71299 0.79 ALDH1A1 (1.00) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL21536740 0.78 ALDH1A1 (0.62) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL1178695 0.78 ALDH1A1 (0.72) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL892967 0.78 CDH1 (0.82) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL72428 0.78 ALDH1A1 (0.72) ALDH1A1PTPN1HPGDMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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 (2 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 ALDH1A1 253/4885PTPN1 3220/4885HPGD 2240/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ALDH1A1 1426/4885PTPN1 2039/4885HPGD 1034/4885

“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.