SCHEMBL12896161

SCHEMBL12896161

CC(C)c1sc2cc(O)ccc2c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 17/20 0.40
▸ ESR2 Q92731 7/20 0.40
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12896159 0.86 ICAM1 (0.42) ESR1ESR2ICAM1SELEHTT
SCHEMBL12896185 0.80 BCL2L1 (0.39) —
SCHEMBL12896176 0.79 BCKDK (0.38) MEN1KMT2A
SCHEMBL12896165 0.78 HSD17B10 (0.37) —
SCHEMBL12896179 0.73 GPR3 (0.46) MEN1KMT2A
SCHEMBL12248513 0.71 ICAM1 (0.42) ESR1ESR2ICAM1SELEHTT
SCHEMBL17232354 0.71 UGT2B7 (0.35) TDP1
SCHEMBL3874783 0.71 HTT (0.44) ESR1ESR2HTT
SCHEMBL29980342 0.71 HTT (0.44) ESR1ESR2HTT
SCHEMBL20708908 0.70 ESR1 (0.38) ESR1ESR2MEN1KMT2ATDP1

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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 — — 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A ESR1 296/4885ESR2 220/4885ICAM1 4728/4885

“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.

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