SCHEMBL18565447

SCHEMBL18565447

Cn1c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2c2c3ccccc3ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRNP P04156 1/20 0.36
GPR3 P46089 2/20 0.36
NQO2 P16083 2/20 0.35
NQO1 P15559 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
NPC1 O15118 2/20 0.33
MAPK9 P45984 1/20 0.33
MAPK14 Q16539 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 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
SCHEMBL18565441 0.92 RAB9A (0.38) RAB9AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL18565406 0.84 MAPT (0.40) RAB9AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL18565455 0.84 ALOX5 (0.37) RAB9AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL18565375 0.84 GPR3 (0.48) RAB9AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL18565436 0.83 ALOX5 (0.36) RAB9AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL23348105 0.82 RXRA (0.42) RAB9AHPGDMAPTALDH1A1GPR3
SCHEMBL23077745 0.82 GPR3 (0.50) RAB9AHPGDMAPTALDH1A1GPR3
SCHEMBL18565479 0.81 MAPT (0.39) RAB9AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL13507546 0.80 GPR3 (0.39) RAB9AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL18565366 0.79 RXRA (0.51) RAB9AHPGDMAPTALDH1A1SMN1; SMN2

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 RAB9A 1488/4885HPGD 3304/4885MAPT 1057/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 RAB9A 1488/4885HPGD 3304/4885MAPT 1057/4885

“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.