SCHEMBL8570532

SCHEMBL8570532

COc1ccc2cc(C(=O)CCCCCl)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
HPGD P15428 2/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP2C19 P33261 1/20 0.67
HSD17B10 Q99714 1/20 0.67
KDM4E B2RXH2 3/20 0.55
PDE4B Q07343 1/20 0.51
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 3/20 0.50
MAPT P10636 2/20 0.49
THRA P10827 1/20 0.48
NPC1 O15118 2/20 0.46
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL10574043 0.87 ALDH1A1 (0.68) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL9805746 0.87 CYP1A2 (0.83) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL3738802 0.86 PDE4B (0.68) ALDH1A1PDE4BHDAC1HDAC8MAPT
SCHEMBL16672058 0.85 ALDH1A1 (0.67) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL9365890 0.85 ALDH1A1 (0.67) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL4083170 0.85 ALDH1A1 (0.67) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL9805743 0.85 CYP1A2 (0.81) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL9805821 0.85 CYP1A2 (0.81) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL4020524 0.85 ALDH1A1 (0.67) CYP1A2HPGDALDH1A1CYP2C19HSD17B10
SCHEMBL10415403 0.85 ALDH1A1 (0.70) CYP1A2HPGDALDH1A1CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
US-8841321-B2 Quinoline derivatives as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2014-09-23 US disclosed
EP-1898914-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-15 EP disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
US-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-25 US disclosed
WO-2007000435-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-04 WO disclosed
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 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-20100048585-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS NQO2, HRH1, HRH2 CYP1A2 178/4885HPGD 754/4885ALDH1A1 776/4885

“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.