SCHEMBL18565417

SCHEMBL18565417

Cn1c2cc3ccccc3cc2c2c(-c3ccc4c(c3)sc3ccccc34)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
S1PR5 Q9H228 7/20 0.34
S1PR4 O95977 6/20 0.34
GPR3 P46089 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KIF11 P52732 1/20 0.32
MCL1 Q07820 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL18565383 0.89 ALOX5 (0.41) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL18565455 0.86 ALOX5 (0.37) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL18565398 0.84 ALOX5 (0.38) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL18565404 0.82 RXRA (0.41) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25681792 0.81 HSD17B10 (0.40) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL25681914 0.81 HSD17B10 (0.40) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL18565406 0.81 MAPT (0.40) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL18565484 0.81 ALOX5 (0.39) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL18565414 0.79 HCRTR1 (0.39) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL18565436 0.78 ALOX5 (0.36) ALOX5MAPTALDH1A1HPGDRAB9A

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 ALOX5 888/4885MAPT 1057/4885ALDH1A1 2977/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 ALOX5 888/4885MAPT 1057/4885ALDH1A1 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.