SCHEMBL13498366

SCHEMBL13498366

Cc1c(C(C)C)c(C)n(CCN2CCOCC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GRK6 P43250 1/20 0.37
POLB P06746 1/20 0.36
LIPE Q05469 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 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
SCHEMBL14314487 0.87 LMNA (0.37) LMNAMEN1KMT2AALDH1A1GRK6
SCHEMBL15233470 0.84 LMNA (0.45) LMNAKMT2AALDH1A1POLBGAA
SCHEMBL12854855 0.80 LMNA (0.38) LMNAMEN1KMT2APOLBGAA
SCHEMBL12851448 0.77 ALDH1A1 (0.39) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL12854921 0.75 LMNA (0.39) LMNAKMT2AALDH1A1POLBGAA
SCHEMBL18999673 0.71 P2RX7 (0.39) LMNAMEN1KMT2AALDH1A1GRK6
SCHEMBL235080 0.66 KDM4E (0.65) ALDH1A1POLB
SCHEMBL8648555 0.64 KDM4E (0.47) MEN1KMT2AALDH1A1
SCHEMBL104455 0.64 KDM4E (0.47) MEN1KMT2AALDH1A1
SCHEMBL11856358 0.63 KDM4E (0.70) ALDH1A1POLB

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-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 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 (2 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-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM LMNA 700/4885MEN1 4101/4885KMT2A 3300/4885
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM LMNA 700/4885MEN1 4101/4885KMT2A 3300/4885

“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.