SCHEMBL413536

SCHEMBL413536

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GABRA1 P14867 1/20 0.48
ALOX15 P16050 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
CYP2C19 P33261 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL412586 0.87 FAAH (0.51) ALOX15HSD17B10EP300ALDH1A1NPC1
SCHEMBL10247836 0.86 ALDH1A1 (0.55) GABRPGABRDCYP1A2GABRA1GABRB1
SCHEMBL415236 0.85 GABRA1 (0.65) GABRPGABRDCYP1A2CYP2D6CYP2C9
SCHEMBL30001540 0.78 KDM1A (0.44) HSD17B10ALDH1A1HDAC1HDAC2HDAC8
SCHEMBL3039018 0.76 HDAC3 (0.50) HSD17B10EP300ALDH1A1HDAC1HDAC2
SCHEMBL18338543 0.76 THRB (0.45) CYP1A2CYP2D6CYP2C9CYP2C19HSD17B10
SCHEMBL2834175 0.74 CYP19A1 (0.47) HSD17B10ALDH1A1HDAC1HDAC2HDAC8
SCHEMBL5476265 0.74 HDAC1 (0.43) GABRPGABRDCYP1A2CYP2D6CYP2C9
SCHEMBL414508 0.73 GABRP (0.40) GABRPGABRDCYP1A2CYP2D6CYP2C9
SCHEMBL21907066 0.73 TBXAS1 (0.44) HSD17B10EP300ALDH1A1L3MBTL1MAPT

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 GABRP 3362/4885GABRD 3993/4885CYP1A2 151/4885

“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.