SCHEMBL13618882

SCHEMBL13618882

CCc1ccc(-c2ccc(OC)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
CYP2A6 P11509 2/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
KDR P35968 6/20 0.50
TEK Q02763 4/20 0.50
NAAA Q02083 1/20 0.50
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
EPHB4 P54760 3/20 0.45
CYP11B1 P15538 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL14466730 0.86 MKNK1 (0.51) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL91410 0.84 KDM1A (0.44) CYP2A6NPC1LMNAPKMCYP11B1
SCHEMBL31174412 0.84 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL3754419 0.84 CYP2A6 (0.68) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL4389483 0.84 MKNK1 (0.53) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL3059303 0.84 MKNK1 (0.57) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL12516033 0.84 NAAA (0.56) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL18251117 0.82 HSD17B1 (0.61) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL16479585 0.82 CASP3 (0.54) MKNK1MKNK2CYP2A6HSD17B1HSD17B2
SCHEMBL25146392 0.81 MKNK1 (0.50) MKNK1MKNK2CYP2A6HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 WO disclosed
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
WO-2008141011-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
WO-2008137805-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO 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-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 MKNK1 1971/4885MKNK2 2439/4885CYP2A6 2868/4885

“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.