SCHEMBL415481

SCHEMBL415481

CCC(CCC(=O)O)Sc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 2/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 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
SCHEMBL11448460 0.79 PTGES (0.39) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL302088 0.76 KMT2A (0.43) KMT2AALDH1A1MAPTLMNAPTGES
SCHEMBL19501967 0.76 HTT (0.72) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL14635883 0.76 HPGD (0.41) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL28437615 0.75 HPGD (0.44) ALDH1A1MAPTPTGESALOX5PPARG
SCHEMBL9109127 0.73 ALOX5 (0.48) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL1453567 0.71 ALDH1A1 (0.35) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL28965956 0.71 HTT (0.51) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL19285283 0.71 ALDH1A1 (0.37) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL28429787 0.70 HPGD (0.40) KMT2AALDH1A1MAPTLMNAHPGD

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 KMT2A 2843/4885ALDH1A1 455/4885MAPT 3216/4885

“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.