SCHEMBL20347166

SCHEMBL20347166

CC(C)(C)OCC(Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.48
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
PTPRB P23467 1/20 0.42
BCL2 P10415 1/20 0.42
RXRG P48443 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20347171 0.86 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL20347169 0.84 CYP17A1 (0.43) ALDH1A1PTPRBLMNA
SCHEMBL20347165 0.82 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL20347187 0.82 LMNA (0.44) ALDH1A1MEN1MAPTMTORKMT2A
SCHEMBL20347149 0.81 ALDH1A1 (0.43) ALDH1A1MEN1MAPTMTORKMT2A
SCHEMBL20347176 0.80 LMNA (0.40) ALDH1A1MAPTLMNA
SCHEMBL20347170 0.80 LTB4R2 (0.47)
SCHEMBL20347196 0.79 MKNK1 (0.47) LMNA
SCHEMBL20347182 0.79 BRS3 (0.41) ALDH1A1MAPTLMNA
SCHEMBL20347179 0.78 BRS3 (0.46) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 RARB 4166/4885ALDH1A1 527/4885MEN1 1731/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 RARB 4166/4885ALDH1A1 527/4885MEN1 1731/4885

“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.