SCHEMBL4534948

SCHEMBL4534948

CC(C)(C)c1c(-c2ccccc2)cc2c(C(C)(C)C)c3ccccc3cc2c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ GPR84 Q9NQS5 4/20 0.39
▸ ESR1 P03372 4/20 0.37
▸ ESR2 Q92731 3/20 0.37
▸ ALOX5 P09917 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PSMB5 P28074 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ADORA3 P0DMS8 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
SCHEMBL5606303 0.88 MEN1 (0.37) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL24859351 0.74 ALDH1A1 (0.44) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL19031269 0.72 GPR84 (0.56) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL26965728 0.71 ESR1 (0.40) ALDH1A1GPR84ESR1ESR2ALOX5
SCHEMBL27991061 0.71 GPR84 (0.34) ALDH1A1GPR84ADORA3ADORA2AADORA1
SCHEMBL18473339 0.70 ACHE (0.47) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL30337996 0.70 ESR1 (0.59) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL10864353 0.70 ESR1 (0.59) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL27991747 0.70 GPR84 (0.39) ALDH1A1GPR84ALOX5HIF1ACYP1B1
SCHEMBL5801798 0.70 ALDH1A1 (0.34) ALDH1A1GPR84ADORA3ADORA2AADORA1

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-7622619-B2 Making 9,10-diarylanthracenes such as 2-tert-butyl-9,10-bis-(beta-napthyl)-anthracene (TBADN); material for Organic light emitting devices (OLEDs) LG DISPLAY CO., LTD. (KR) 2009-11-24 — — US disclosed
US-20070020480-A1 Synthesis process XEROX CORPORATION 2007-01-25 — — 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-20070020480-A1 Synthesis process ALAD, FDPS, ALKBH1 MEN1 1109/4885KMT2A 2200/4885KDM4E 1578/4885

“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.

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