SCHEMBL13891701

SCHEMBL13891701

CCc1ccc(-c2ccc(C(=O)O)s2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.48
DAO P14920 1/20 0.47
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
HPGDS O60760 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PKM P14618 1/20 0.43
LIG1 P18858 1/20 0.43
PRNP P04156 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL262044 0.88 HPGD (0.56) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL593023 0.82 MEN1 (0.65) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL775264 0.81 MEN1 (0.49) HPGDALDH1A1TDP1MEN1KMT2A
SCHEMBL805126 0.81 PKM (0.47) HPGDALDH1A1TDP1MEN1KMT2A
SCHEMBL10020293 0.80 MEN1 (0.47) HPGDALDH1A1TDP1MEN1KMT2A
SCHEMBL10020291 0.80 PKM (0.46) HPGDALDH1A1TDP1MEN1KMT2A
SCHEMBL2615881 0.80 MEN1 (0.63) HPGDALDH1A1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL9447525 0.80 MEN1 (0.63) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL2615879 0.80 MEN1 (0.63) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL13621245 0.79 DPP4 (0.41) HPGDALDH1A1MEN1KMT2ARAB9A

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-8383553-B2 Dyes MERCK PATENT GMBH (DE) 2013-02-26 US disclosed
US-20090107552-A1 Novel Dyes MERCK KGAA (DE) 2009-04-30 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-20090107552-A1 Novel Dyes CRY2, CRY1, HCCS HPGD 2776/4885ALDH1A1 1538/4885TDP1 2231/4885

“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.