SCHEMBL23733652

SCHEMBL23733652

CC(C)CC(C)N[C@H](C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MLYCD O95822 1/20 0.33
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30

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
SCHEMBL23872554 1.00 ALDH1A1 (0.36) ALDH1A1MLYCDGRNSORT1
SCHEMBL23613090 0.78 TAS1R3 (0.31)
SCHEMBL23872550 0.76 ALDH1A1 (0.34) ALDH1A1MLYCD
SCHEMBL23872553 0.76 ALDH1A1 (0.34) ALDH1A1MLYCD
SCHEMBL23872552 0.76 ALDH1A1 (0.34) ALDH1A1MLYCD
SCHEMBL529993 0.74 TDP1 (0.31)
SCHEMBL314769 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13995976 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL12703373 0.69 TDP1 (0.44) ALDH1A1
SCHEMBL14268038 0.69 TDP1 (0.44)

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-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 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-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 2338/4885MLYCD 922/4885GRN 435/4885

“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.