SCHEMBL21790448

SCHEMBL21790448

CCCC(C)(C)Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 2/20 0.40
SYK P43405 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
P2RX1 P51575 1/20 0.40
KIF11 P52732 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL12403863 0.84 SLC22A12 (0.50) SLC22A12ALDH1A1GAAMAPTHPGD
SCHEMBL21790484 0.82 TP53 (0.45) ALDH1A1HPGDTSHRHTTSYK
SCHEMBL21790805 0.81 LMNA (0.48) ALDH1A1MAPTHTTRAB9AEPHX2
SCHEMBL6233653 0.78 PIM1 (0.50) SLC22A12ALDH1A1GAAMAPTHPGD
SCHEMBL21790791 0.76 MEN1 (0.42) ALDH1A1GAAMAPTHPGDTSHR
SCHEMBL5177248 0.76 ICMT (0.46) SLC22A12ALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL14744123 0.75 ICMT (0.46) SLC22A12ALDH1A1GAAMAPTHPGD
SCHEMBL18737497 0.75 KIF11 (0.47) KIF11
SCHEMBL6232362 0.75 ICMT (0.46) SLC22A12NPC1RAB9AEPHX2SYK
SCHEMBL23084782 0.74 MAPT (0.48) ALDH1A1GAAMAPTHPGDHTT

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 SLC22A12 3218/4885ALDH1A1 1049/4885GAA 4358/4885

“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.