SCHEMBL2608965

SCHEMBL2608965

Cc1cc(=O)n(CC(C)C)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
PDE2A O00408 1/20 0.36
ADRA2A P08913 1/20 0.35

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
SCHEMBL28499118 0.70 ADRA2A (0.47) HSD17B10ADRA2A
SCHEMBL4763472 0.69 ALDH1A1 (0.47) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL8122255 0.68 ADORA2A (0.43) ALDH1A1SMN1; SMN2TSHRL3MBTL1CHRNB2
SCHEMBL11825534 0.67 TSHR (0.46) KDM4EALDH1A1TSHRL3MBTL1HSD17B10
SCHEMBL4767676 0.67 B3GNT2 (0.43) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL12862549 0.65 ALDH1A1 (0.74) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5207656 0.65 MEN1 (0.53) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL9420353 0.64 ALDH1A1 (0.48) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL13274541 0.64 RPS6KB1 (0.50) ALDH1A1SMN1; SMN2CHRNB2CHRNA4LMNA
SCHEMBL10147189 0.64 ALDH1A1 (0.44) KDM4EMEN1KMT2AMAPTALDH1A1

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-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E KDM4E 3267/4885MEN1 4773/4885KMT2A 3647/4885

“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.