SCHEMBL10322145

SCHEMBL10322145

COc1c(C=O)cc(Br)cc1C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PRKDC P78527 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ HTR2A P28223 2/20 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
SCHEMBL10323546 0.78 KMT2A (0.40) ERN1MEN1KMT2AKDM4EPTGDR2
SCHEMBL10322850 0.76 ERN1 (0.55) ERN1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1071145 0.74 ERN1 (0.53) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL6765986 0.73 ERN1 (0.39) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL22216903 0.73 ERN1 (0.51) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL127848 0.73 ERN1 (0.66) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL11722785 0.73 PTGDR2 (0.35) ERN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27403853 0.73 CA1 (0.41) ALDH1A1PRKDCMEN1KMT2AMAPT
SCHEMBL27293771 0.72 CA1 (0.50) ERN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1530638 0.72 ERN1 (0.50) ERN1ALDH1A1PRKDCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484669-B1 PHENOL DERIVATIVES FUJI YAKUHIN CO LTD (JP) 2015-07-29 — — EP disclosed
US-8367843-B2 Phenol derivative FUJI YAKUHIN CO., LTD. (JP) 2013-02-05 — — US disclosed
CN-102639518-A Novel Phenol Derivatives FUJI YAKUHIN CO LTD 2012-08-15 — — CN disclosed
EP-2484669-A1 NOVEL PHENOL DERIVATIVE Fuji Yakuhin Co., Ltd. (JP) 2012-08-08 — — EP disclosed
US-20120184587-A1 NOVEL PHENOL DERIVATIVE FUJI YAKUHIN CO., LTD. (JP) 2012-07-19 — — 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-20120184587-A1 NOVEL PHENOL DERIVATIVE XDH, REN, UTS2R ERN1 2510/4885ALDH1A1 74/4885CYP1A2 300/4885

“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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