SCHEMBL17211685

SCHEMBL17211685

COc1cc(C(=O)O)cc(OC)c1OCc1noc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 1/20 0.46
SMPD1 P17405 5/20 0.45
TPMT P51580 1/20 0.44
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL17213393 0.90 SMPD1 (0.43) HSD17B10L3MBTL1POLBTDP1HTT
SCHEMBL583042 0.75 POLB (0.54) HSD17B10L3MBTL1POLBTDP1HTT
SCHEMBL12431984 0.71 POLB (0.60) HSD17B10L3MBTL1POLBTDP1TPMT
SCHEMBL8638411 0.71 TPMT (0.66) HSD17B10L3MBTL1POLBTDP1HTT
SCHEMBL17874346 0.71 TPMT (0.61) HSD17B10L3MBTL1POLBTDP1HTT
SCHEMBL2317454 0.71 RXRA (0.61) HSD17B10L3MBTL1POLBTDP1SMPD1
Hydrochloric Acid SCHEMBL16143333 0.70 RXRA (0.60) HSD17B10L3MBTL1POLBTDP1SMPD1
SCHEMBL8481616 0.70 TPMT (0.59) HSD17B10L3MBTL1POLBTDP1HTT
SCHEMBL15673277 0.69 RXRA (0.62) HSD17B10L3MBTL1POLBTDP1SMPD1
SCHEMBL12431890 0.68 POLB (0.60) HSD17B10L3MBTL1POLBTDP1PKM

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
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 HSD17B10 3162/4885L3MBTL1 1932/4885POLB 3512/4885

“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.