SCHEMBL13247889

SCHEMBL13247889

C=c1c(=C)n(CCOOCC)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PGR P06401 2/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 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
SCHEMBL24049840 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APGRRORA
SCHEMBL13062203 0.68 MEN1 (0.64) ALDH1A1MEN1KMT2APGRRORA
SCHEMBL24050350 0.67 GPR3 (0.58) ALDH1A1KMT2APGRKDM4ECYP2C19
SCHEMBL17993963 0.66 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL13223738 0.66 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL1149879 0.64 PTGER4 (0.67) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL17788576 0.64 MEN1 (0.60) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL10729312 0.62 PTGER4 (0.60) ALDH1A1MEN1KMT2APTGS2PTGER4
SCHEMBL11215785 0.61 FNTA (0.51) ALDH1A1MEN1KMT2APTGS2KDM4E
SCHEMBL5051291 0.61 MEN1 (0.64) MEN1KMT2AKDM4EPTGER4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100212737-A1 DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE SONY CORPORATION (JP) 2010-08-26 — — 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-20100212737-A1 DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE CBR3, CYB5R3, CBR1 ALDH1A1 1852/4885MEN1 4544/4885KMT2A 2301/4885

“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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