SCHEMBL17549549

SCHEMBL17549549

CC(C)(C)n1c(-c2ccccc2)cc2c3ccccc3ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HPGD P15428 3/20 0.36
HPRT1 P00492 1/20 0.35
RAC2 P15153 1/20 0.35
RAC3 P60763 1/20 0.35
CDC42 P60953 1/20 0.35
RAC1 P63000 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
SLC2A1 P11166 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17551795 0.79 KMT2A (0.61) KMT2AALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL14929532 0.78 KMT2A (0.59) KMT2AALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL19421851 0.73 GRM2 (0.42)
SCHEMBL24816197 0.72 TSPO (0.48) KMT2AALDH1A1HSD17B10TDP1HPGD
SCHEMBL19735307 0.71 HSD17B10 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL17994296 0.70 HSD17B10 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL12092444 0.70 RAC2 (0.37) KMT2ATSHRTDP1HPGDRAC2
SCHEMBL23045927 0.70 NPY5R (0.41) KMT2AALDH1A1HPGDRAC2RAC3
SCHEMBL19735304 0.68 GPR3 (0.39) KMT2AALDH1A1HSD17B10TDP1HIF1A
SCHEMBL13761876 0.68 TSPO (0.44) KMT2ALMNASMN1; SMN2KDM4E

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-20160058776-A1 ACTIVE AGENTS AND THEIR OLIGOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2016-03-03 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-20160058776-A1 ACTIVE AGENTS AND THEIR OLIGOMERS AND POLYMERS ALG1, DDOST, IDUA KMT2A 4706/4885ALDH1A1 2906/4885HSD17B10 3062/4885

“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.