SCHEMBL13057713

SCHEMBL13057713

CCOc1cc(C(=O)O)cc2cc(OCc3c(C)cccc3C)ccc12

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.48
MRGPRX4 Q96LA9 5/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
SLC22A12 Q96S37 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
TSHR P16473 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
SCHEMBL13057712 0.90 ALDH1A1 (0.43) SMN1; SMN2
SCHEMBL2932687 0.89 P2RY14 (0.60) P2RY14MRGPRX4LTB4RLTB4R2RXRA
SCHEMBL13057709 0.87 P2RY14 (0.53) P2RY14MRGPRX4LTB4RLTB4R2SLC22A12
SCHEMBL13057677 0.85 TSHR (0.50) P2RY14MRGPRX4TP53PKMNFKB1
SCHEMBL2933945 0.84 RECQL (0.45) P2RY14MRGPRX4LTB4RLTB4R2
SCHEMBL2934240 0.81 P2RY14 (0.65) P2RY14MRGPRX4SMN1; SMN2LTB4RLTB4R2
SCHEMBL2927190 0.80 P2RY14 (0.64) P2RY14MRGPRX4LTB4RLTB4R2
SCHEMBL13807483 0.79 P2RY14 (0.48) P2RY14MRGPRX4LTB4RLTB4R2
SCHEMBL13057710 0.79 ALDH1A1 (0.46)
SCHEMBL2932632 0.78 P2RY14 (0.64) P2RY14MRGPRX4SMN1; SMN2LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 P2RY14 423/4885MRGPRX4 390/4885TP53 3671/4885

“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.