SCHEMBL12848242

SCHEMBL12848242

COc1cc(CCl)c(OC)c(CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ GFER P55789 1/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 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
SCHEMBL10735778 0.90 MAPT (0.44) ALDH1A1CYP1A2GFERDYRK1AKDM4E
SCHEMBL3936459 0.87 HTR2A (0.43) ALDH1A1CYP1A2GFERDYRK1ACYP1A1
SCHEMBL13980469 0.87 CYP1A2 (0.41) ALDH1A1CYP1A2GFERDYRK1ACYP1A1
SCHEMBL10729669 0.87 CYP1A2 (0.41) ALDH1A1CYP1A2GFERDYRK1ACYP3A4
SCHEMBL32671766 0.81 ACHE (0.46) ALDH1A1GFERDYRK1AKDM4ETSHR
SCHEMBL29208987 0.81 MAPT (0.42) ALDH1A1GFERDYRK1ASMN1; SMN2CYP3A4
SCHEMBL23796848 0.78 KDM4E (0.43) ALDH1A1CYP1A2KDM4ETSHRSMN1; SMN2
SCHEMBL30031802 0.78 KDM4E (0.43) ALDH1A1CYP1A2KDM4ETSHRSMN1; SMN2
SCHEMBL2945602 0.78 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP1A1CYP1B1KDM4E
SCHEMBL20817223 0.76 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP1A1CYP1B1KDM4E

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-20110053276-A1 MOLECULAR INDICATOR AND PROCESS OF SYNTHESIZING BATTELLE MEMORIAL INSTITUTE 2011-03-03 — — 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-20110053276-A1 MOLECULAR INDICATOR AND PROCESS OF SYNTHESIZING MUS81, MKI67, AOC1 ALDH1A1 173/4885CYP1A2 2315/4885GFER 681/4885

“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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