SCHEMBL21217954

SCHEMBL21217954

OC(c1ccccc1)(c1cc2ccccc2nc1-c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ PDE10A Q9Y233 3/20 0.43
▸ CFTR P13569 1/20 0.40
▸ GOPC Q9HD26 1/20 0.40
▸ DHODH Q02127 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TACR3 P29371 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL21217551 0.87 PDE10A (0.51) CYP2D6CYP2C19HPGDCYP2C9HSD17B10
SCHEMBL25710684 0.80 HSD17B10 (0.65) CYP2D6CYP2C19HPGDCYP2C9HSD17B10
SCHEMBL2355481 0.76 CYP1A2 (0.59) CYP2D6CYP2C19HPGDCYP2C9HSD17B10
SCHEMBL29167170 0.69 CYP1A2 (0.48) CYP2D6CYP2C19HPGDCYP2C9HSD17B10
SCHEMBL2199429 0.68 PDE10A (0.53) CYP2D6CYP2C19HPGDCYP2C9HSD17B10
SCHEMBL1326238 0.65 PDE10A (0.61) HPGDPDE10ADHODHLMNAAKT1
SCHEMBL13776777 0.64 CYP2C19 (0.53) CYP2D6CYP2C19HPGDCYP2C9HSD17B10
SCHEMBL1882100 0.64 PDE10A (0.56) HPGDPDE10ADHODHLMNATSHR
SCHEMBL19130800 0.64 CYP2C19 (0.56) CYP2D6CYP2C19HPGDCYP2C9HSD17B10
SCHEMBL9806370 0.64 CYP2C19 (0.56) CYP2D6CYP2C19HPGDCYP2C9HSD17B10

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-20190237678-A1 ORGANIC PHOTOELECTRIC FUNCTIONAL MATERIAL, METHOD FOR PREPARING THE SAME, USE OF THE SAME, ORGANIC ELECTRONIC ASSEMBLY, AND LIGHT-EMITTING DEVICE Nanjing Tech Universiy (CN) 2019-08-01 — — 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-20190237678-A1 ORGANIC PHOTOELECTRIC FUNCTIONAL MATERIAL, METHOD FOR PREPARING THE SAME, USE OF THE SAME, ORGANIC ELECTRONIC ASSEMBLY, AND LIGHT-EMITTING DEVICE FARS2, PPOX, ETFA CYP2D6 251/4885CYP2C19 522/4885HPGD 920/4885

“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.

Send feedback