SCHEMBL3084952

SCHEMBL3084952

CC(C)(C)c1ccc2c(c1)c1c(n2CC(=O)O)CCNC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
KRAS P01116 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
SIRT2 Q8IXJ6 3/20 0.43
PTGDR Q13258 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
SIRT1 Q96EB6 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
Hydrochloric Acid SCHEMBL3544756 0.99 PTGDR2 (0.46) PTGDR2KRASBAZ2BHDAC1HDAC6
Hydrochloric Acid SCHEMBL3096737 0.88 PTGDR2 (0.58) PTGDR2KRASHDAC1HDAC6PTGDR
Hydrochloric Acid SCHEMBL3084827 0.84 PTGDR2 (0.56) PTGDR2KRASBAZ2BSIRT2PTGDR
SCHEMBL16381991 0.82 BAZ2B (0.60) PTGDR2KRASBAZ2BHDAC1HDAC6
Hydrochloric Acid SCHEMBL3084042 0.81 PTGDR2 (0.56) PTGDR2PTGDR
Hydrochloric Acid SCHEMBL3081708 0.81 BAZ2B (0.59) PTGDR2KRASBAZ2BHDAC1HDAC6
Hydrochloric Acid SCHEMBL3085389 0.81 KRAS (0.60) PTGDR2KRASBAZ2BHDAC1HDAC6
Hydrochloric Acid SCHEMBL3087433 0.81 PTGDR2 (0.58) PTGDR2KRASBAZ2BHDAC1HDAC6
SCHEMBL5627158 0.79 KDM4E (0.67) PTGDR2HDAC1HDAC6PTGDRKDM4E
Hydrochloric Acid SCHEMBL3081497 0.79 HSD17B10 (0.43) PTGDR2KRASBAZ2BHDAC1HDAC6

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-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 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-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A PTGDR2 170/4885KRAS 1026/4885BAZ2B 2653/4885

“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.