SCHEMBL12301083

SCHEMBL12301083

Cc1ccc2c(c1)OC(C(F)(F)F)(C(F)(F)F)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ATM Q13315 3/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ PDK2 Q15119 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL12301085 0.77 KDM4E (0.36) KDM4EATMRAD52MAPTHTT
SCHEMBL12233255 0.75 KDM4E (0.35) KDM4EATMRAD52HTTLMNA
SCHEMBL12180466 0.74 KDM4E (0.38) KDM4EATMRAD52MAPTHTT
SCHEMBL18469509 0.72 KDM4E (0.33) KDM4EATMRAD52HTTALDH1A1
SCHEMBL14449367 0.72 KDM4E (0.33) KDM4EATMRAD52MAPTHTT
SCHEMBL17193802 0.71 KDM4E (0.34) KDM4EATMRAD52HTTLMNA
SCHEMBL12301086 0.70 KDM4E (0.33) KDM4EATMRAD52HTTKMT2A
SCHEMBL19954246 0.67 AKT1 (0.35) KDM4EATMHTTLMNAALDH1A1
SCHEMBL17208907 0.67 ADRA2A (0.35) KDM4EATMRAD52HTTALDH1A1
SCHEMBL14449822 0.67 HTR1A (0.35) KDM4EATMRAD52HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017635-B2 Phenylalkyl substituted heteroaryl derivatives FMC CORPORATION (US) 2011-09-13 — — US disclosed
US-8017635-B2 Phenylalkyl substituted heteroaryl derivatives FMC CORPORATION (US) 2011-09-13 — — US disclosed
US-20100152045-A1 Phenylalkyl Substituted Heteroaryl Derivatives FMC CORPORATION 2010-06-17 — — US disclosed
US-20100152045-A1 Phenylalkyl Substituted Heteroaryl Derivatives FMC CORPORATION 2010-06-17 — — 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-20100152045-A1 Phenylalkyl Substituted Heteroaryl Derivatives DDT, CRYAA, CYP19A1 KDM4E 1083/4885ATM 3649/4885RAD52 2693/4885

“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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