SCHEMBL20101431

SCHEMBL20101431

CCn1ccc2ccc3sccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
HTR2C P28335 5/20 0.43
MAPT P10636 5/20 0.40
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
GRK2 P25098 1/20 0.35
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7939024 0.81 HTR2A (0.41) HTR2AHTR2CMAPTHTR2B
SCHEMBL20101423 0.76 CDK4 (0.33) HTR2AHTR2CMAPTCDK4CCND1
SCHEMBL6197461 0.75 MAPK1 (0.50) HTR2AHTR2CKDM4E
SCHEMBL25883905 0.75 MAPT (0.41) HTR2AHTR2CMAPTKDM4EALDH1A1
SCHEMBL25798844 0.72 HTR2A (0.63) HTR2AHTR2CCDK4CCND1KDM4E
SCHEMBL29763644 0.72 HTR2A (0.63) HTR2AHTR2CCDK4CCND1KDM4E
SCHEMBL20101422 0.68 PRKCI (0.37) HTR2AHTR2CMAPTCDK4CCND1
SCHEMBL14985269 0.67 KDM1A (0.34) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL20101432 0.67 CDK4 (0.36) HTR2AHTR2CMAPTCDK4CCND1
SCHEMBL20101430 0.67 HTR2A (0.43) HTR2AHTR2CMAPTCDK4CCND1

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-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 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-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 HTR2A 4848/4885HTR2C 4870/4885MAPT 1784/4885

“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.