SCHEMBL12174099

SCHEMBL12174099

C1=Cc2c(oc3cc4oc5ccccc5c4cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.44
▸ MAOA P21397 3/20 0.43
▸ MAPT P10636 7/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PGAM1 P18669 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL14052191 0.93 MAOA (0.39) AHRMAOAMAPTSMN1; SMN2MEN1
SCHEMBL15889121 0.86 MAPT (0.40) AHRMAOAMAPTSMN1; SMN2MEN1
SCHEMBL12241283 0.85 SIGMAR1 (0.38) AHRMAOAMAPTSMN1; SMN2MEN1
SCHEMBL21426315 0.85 PLA2G2A (0.44) AHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL26010105 0.85 MAPT (0.39) AHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24031899 0.84 MAPT (0.38) AHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23285438 0.83 PRKDC (0.38) MAOA
SCHEMBL13629785 0.83 MEN1 (0.37) AHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21902203 0.82 KMT2A (0.43) AHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22591438 0.82 MEN1 (0.36) AHRMAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049411-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-01 — — US disclosed
US-20090309488-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-12-17 — — 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-20090309488-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EPCAM, ILK, PPOX AHR 3026/4885MAOA 967/4885MAPT 792/4885

“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