SCHEMBL22420010

SCHEMBL22420010

CCCCc1ccc2c(ccc3c4ccccc4oc23)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ TLR8 Q9NR97 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
SCHEMBL13562218 0.96 PTPN1 (0.49) PTPN1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL13562219 0.92 PTPN1 (0.46) PTPN1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL15848809 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL15848797 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL15848807 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL15848808 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL15848796 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL15848806 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL15848795 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL13562302 0.91 PTPN1 (0.45) PTPN1CYP1A2CYP2D6CYP2C19MAPT

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-10777752-B2 Organic electroluminescence device and electronic apparatus provided with the same IDEMITSU KOSAN CO., LTD. (JP) 2020-09-15 — — 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-10777752-B2 Organic electroluminescence device and electronic apparatus provided with the same RER1, RPS19, MRPS22 PTPN1 4248/4885CYP1A2 1560/4885CYP2D6 2037/4885

“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