SCHEMBL12708293

SCHEMBL12708293

OCc1ccc2c(O)cc(-c3ccccc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ACHE P22303 1/20 0.41
TACR3 P29371 3/20 0.41
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DHODH Q02127 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2C9 P11712 1/20 0.40
TTR P02766 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12708292 0.85 GRM2 (0.41) DHODH
SCHEMBL12708296 0.85 FYN (0.43) KDM4ESMN1; SMN2LMNAACHETP53
SCHEMBL14035489 0.82 DHODH (0.56) TACR3DHODH
SCHEMBL12708290 0.82 ACACA (0.49) KDM4ESMN1; SMN2LMNATACR3ALDH1A1
SCHEMBL12201040 0.81 ESR1 (0.53) KDM4ESMN1; SMN2LMNAPDE10AACHE
SCHEMBL10315760 0.80 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2LMNAPDE10AACHE
SCHEMBL1256551 0.80 ACHE (0.61) KDM4ESMN1; SMN2LMNAPDE10AACHE
SCHEMBL20696076 0.79 ACHE (0.59) KDM4ESMN1; SMN2LMNAPDE10AACHE
Methane SCHEMBL10433561 0.79 ACHE (0.59) KDM4ESMN1; SMN2LMNAPDE10AACHE
SCHEMBL16639053 0.78 ACHE (0.47) KDM4ESMN1; SMN2LMNAPDE10AACHE

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-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 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-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 KDM4E 3200/4885SMN1; SMN2 1610/4885LMNA 4056/4885

“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.