SCHEMBL17903089

SCHEMBL17903089

COc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ MAOB P27338 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL17903088 0.99 ALOX5 (0.39) ALOX5HDAC8MAOBKDM4EALDH1A1
SCHEMBL16996071 0.94 ALOX5 (0.38) ALOX5HDAC8MAOBKDM4EALDH1A1
SCHEMBL16996063 0.93 ALOX5 (0.39) ALOX5HDAC8MAOBKDM4EALDH1A1
SCHEMBL17804920 0.91 ALOX5 (0.43) ALOX5KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17126404 0.91 ALOX5 (0.43) ALOX5KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17804841 0.91 ALOX5 (0.43) ALOX5KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL29789474 0.91 ALOX5 (0.43) ALOX5KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17804838 0.91 ALOX5 (0.45) ALOX5KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17804876 0.91 ALOX5 (0.45) ALOX5KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17816698 0.90 ALOX5 (0.43) ALOX5KDM4ELMNAMAPTSMN1; 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-10756275-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2020-08-25 — — US disclosed
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — 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-10756275-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment CHRM1, L1CAM, ESR1 ALOX5 1925/4885HDAC8 4082/4885MAOB 2542/4885
US-20160197277-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT CHRM1, L1CAM, ESR1 ALOX5 1925/4885HDAC8 4082/4885MAOB 2542/4885

“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