SCHEMBL4568484

SCHEMBL4568484

CCC(C)(C)c1[nH]c2cc(OC)ccc2c1Cc1cccc(C(=O)OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
PARP1 P09874 1/20 0.38
GPR17 Q13304 1/20 0.38
ABL1 P00519 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4568576 0.91 GPR17 (0.43) KMT2AALDH1A1ALOX15HSD17B10MEN1
SCHEMBL4568491 0.86 PRMT5 (0.40) KMT2AALDH1A1ALOX15HSD17B10MEN1
SCHEMBL4568199 0.86 ALDH1A1 (0.45) KMT2AALDH1A1ALOX15HSD17B10MEN1
SCHEMBL4568481 0.84 MRGPRX4 (0.40) ALDH1A1HSD17B10KDM4EMAPTCHRNB2
SCHEMBL4568452 0.84 KDM4E (0.41) KMT2AALDH1A1ALOX15HSD17B10MEN1
SCHEMBL4568213 0.83 GPR17 (0.46) KMT2AMEN1KDM4EGAAGPR17
SCHEMBL4568119 0.82 PARP1 (0.42) MAPTGAAPARP1NPC1RAB9A
SCHEMBL11978671 0.82 JAK2 (0.41) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL4568447 0.82 ALDH1A1 (0.41) KMT2AALDH1A1ALOX15HSD17B10MEN1
SCHEMBL4568442 0.82 MTNR1A (0.45) KMT2AALDH1A1ALOX15HSD17B10MEN1

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R KMT2A 2056/4885ALDH1A1 422/4885ALOX15 232/4885

“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.