SCHEMBL13756271

SCHEMBL13756271

CCOc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.64
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CHRNA7 P36544 4/20 0.51
CACNA2D1 P54289 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
XDH P47989 1/20 0.49
LTA4H P09960 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 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
SCHEMBL156543 0.93 NQO1 (0.74) NQO1TSHRTDP1MAOBMAPT
SCHEMBL9512304 0.90 NQO1 (0.52) NQO1TSHRTDP1CHRNA7CACNA2D1
Ethyl Chloride SCHEMBL9703078 0.88 NQO1 (0.67) NQO1TSHRTDP1CACNA2D1MAOB
SCHEMBL18417193 0.88 NQO1 (0.82) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL5833291 0.88 NQO1 (0.82) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL9155582 0.88 NQO1 (0.82) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL2622512 0.86 LTA4H (0.65) NQO1TSHRTDP1MAOBMAPT
SCHEMBL14805210 0.84 CHRNA7 (0.50) NQO1CHRNA7CACNA2D1MAPTKDM4E
SCHEMBL6342735 0.83 NQO1 (0.58) NQO1TSHRTDP1CACNA2D1MAOB
SCHEMBL13048467 0.81 NQO1 (0.70) NQO1TSHRTDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US 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-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 NQO1 4056/4885TSHR 1242/4885TDP1 179/4885

“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.