SCHEMBL18565404

SCHEMBL18565404

Cn1c2cc(-c3ccc4c(c3)sc3ccccc34)ccc2c2cc3ccccc3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
ALDH1A1 P00352 6/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR3 P46089 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.37
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 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
SCHEMBL18565406 0.93 MAPT (0.40) RXRARXRBALDH1A1RAB9AMAPT
SCHEMBL18565366 0.88 RXRA (0.51) RXRARXRBALDH1A1RAB9AMAPT
SCHEMBL18566127 0.85 GPR3 (0.44) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL21031739 0.85 GPR3 (0.44) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL18565375 0.84 GPR3 (0.48) RXRARXRBALDH1A1RAB9AMAPT
SCHEMBL22661392 0.84 GPR3 (0.55) RXRARXRBALDH1A1RAB9AMAPT
SCHEMBL25681911 0.83 RXRA (0.47) RXRARXRBALDH1A1RAB9AMAPT
SCHEMBL25681786 0.83 RXRA (0.47) RXRARXRBALDH1A1RAB9AMAPT
SCHEMBL18565398 0.83 ALOX5 (0.38) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL18565441 0.83 RAB9A (0.38) RXRARXRBALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 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 (2 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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 RXRA 4249/4885RXRB 4487/4885ALDH1A1 2977/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 RXRA 4249/4885RXRB 4487/4885ALDH1A1 2977/4885

“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.