SCHEMBL18174894

SCHEMBL18174894

CCCC[C@H](C)c1cccc2oc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CDC25C P30307 1/20 0.34

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
SCHEMBL24626620 0.91 NQO1 (0.42) NQO1CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL23056897 0.84 TSHR (0.47) NQO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18174884 0.84 NPC1 (0.38) NQO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18174890 0.81 IGF1R (0.44) NQO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1102418 0.77 HPGD (0.43) CYP1A2CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL6685019 0.76 TSHR (0.45) CYP3A4SMN1; SMN2
SCHEMBL2125548 0.76 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19
SCHEMBL9319212 0.75 MAOA (0.42) NQO1CYP3A4CYP2C9SMN1; SMN2MAOA
SCHEMBL18174883 0.75 GPR3 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL18174891 0.75 NPC1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19NPC1

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-20160329509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2016-11-10 — — US disclosed
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 — — 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-20160329509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, SLC25A21, SLC25A11 NQO1 30/4885CYP1A2 1310/4885CYP3A4 867/4885

“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.

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