SCHEMBL14282017

SCHEMBL14282017

c1ccc(CCCc2cccc(Oc3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
OPRM1 P35372 1/20 0.41
DHFR P00374 3/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
PLAAT3 P53816 1/20 0.38

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
SCHEMBL10841713 0.80 F2 (0.44) KCNH2OPRM1CYP1A2CYP2C9CYP2C19
SCHEMBL9804235 0.80 KCNH2 (0.44) KCNH2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2521152 0.76 LTA4H (0.58) CYP1A2MAPTCYP2C9CYP2C19F2
SCHEMBL4152634 0.76 OPRM1 (0.49) OPRM1DHFRCYP1A2MAPTCYP2C9
SCHEMBL10871695 0.76 FFAR1 (0.53) OPRM1F2F10PRSS1PRSS2
SCHEMBL1680925 0.76 LOXL2 (0.47) KCNH2F2F10PRSS1PRSS2
SCHEMBL11175776 0.76 KCNH2 (0.44) KCNH2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL9198043 0.76 KCNH2 (0.44) KCNH2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL9714305 0.76 KCNH2 (0.44) KCNH2CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL9519763 0.76 KCNH2 (0.44) KCNH2CYP1A2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009529-A1 Methods and compositions for controlling algae SEPRO CORPORATION 2008-01-10 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-20080009529-A1 Methods and compositions for controlling algae CYCS, PPOX, CRY1 KCNH2 665/4885OPRM1 4689/4885DHFR 664/4885

“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.