SCHEMBL412586

SCHEMBL412586

CCOC(=O)CCCn1ccc(-c2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
EP300 Q09472 7/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SCN4A P35499 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL10247836 0.88 ALDH1A1 (0.55) FAAHEP300GAALMNATSHR
SCHEMBL413536 0.87 GABRP (0.48) EP300POLBNPC1LMNATSHR
SCHEMBL415468 0.82 GABRA1 (0.47) LMNASCN4AKMT2AALDH1A1KDM4E
SCHEMBL13933893 0.80 SCN4A (0.47) GAANPC1TSHRRAB9ASCN4A
SCHEMBL18338543 0.77 THRB (0.45) EP300GAALMNAKMT2AALDH1A1
SCHEMBL3039018 0.74 HDAC3 (0.50) FAAHEP300POLBKMT2AALDH1A1
SCHEMBL415614 0.74 PLA2G7 (0.41) GAASCN4AALDH1A1
SCHEMBL21907066 0.74 TBXAS1 (0.44) EP300POLBNPC1LMNATSHR
SCHEMBL19281419 0.74 ALDH1A1 (0.43) POLBNPC1LMNATSHRRAB9A
SCHEMBL3046024 0.74 FAAH (0.44) FAAHEP300LMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 FAAH 3494/4885EP300 268/4885GAA 184/4885

“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.