SCHEMBL415480

SCHEMBL415480

CCOC(=O)CCCSc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 6/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL13948873 0.90 ALDH1A1 (0.61) ALDH1A1MAPTHPGDKDM4EPOLB
SCHEMBL11615589 0.88 HTT (0.57) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL418873 0.88 CYP1A2 (0.46) ALDH1A1MAPTKDM4EPOLBL3MBTL1
SCHEMBL26085790 0.88 NPC1 (0.49) ALDH1A1MAPTL3MBTL1CYP1A2LMNA
SCHEMBL11618490 0.88 MAPT (0.50) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL15228885 0.88 SMN1; SMN2 (0.47) ALDH1A1MAPTHPGDMAPK1KMT2A
SCHEMBL7078818 0.86 ALDH1A1 (0.54) ALDH1A1MAPTHPGDLMNA
SCHEMBL12470753 0.85 KDM4E (0.57) ALDH1A1MAPTHPGDKDM4EL3MBTL1
SCHEMBL16334378 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHPGDMAPK1KMT2A
SCHEMBL5000520 0.83 FAAH (0.46) ALDH1A1MAPTL3MBTL1KMT2AMEN1

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 ALDH1A1 455/4885MAPT 3216/4885HPGD 2716/4885

“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.