SCHEMBL19733889

SCHEMBL19733889

CC(=O)CCc1ccc(C2(C(F)(F)F)NN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.35
FFAR1 O14842 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
SLC5A1 P13866 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
SCHEMBL19733887 0.85 CYP24A1 (0.42) ALDH1A1CYP1A2CYP3A4LMNAFAAH
SCHEMBL17625659 0.83 NPC1 (0.41) ALDH1A1CYP1A2CYP3A4KDM4ENPC1
SCHEMBL17865332 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4KDM4ENPC1
SCHEMBL24623569 0.77 KMT2A (0.49) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL10912165 0.75 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP3A4KDM4ENPC1
SCHEMBL20763906 0.74 PDK2 (0.36) ALDH1A1CYP1A2NPC1LMNATP53
SCHEMBL17625655 0.74 YWHAG (0.44) ALDH1A1
SCHEMBL17625646 0.73 CA1 (0.31)
SCHEMBL266389 0.73 ALDH1A1 (0.57) ALDH1A1MAPTFFAR1
SCHEMBL19090382 0.72 MAPT (0.44) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2

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-20170360678-A1 COSMETIC METHOD FOR CONTROLLING ODORS L'OREAL (FR) 2017-12-21 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-20170360678-A1 COSMETIC METHOD FOR CONTROLLING ODORS OR51E2, AOX1, LPO ALDH1A1 135/4885CYP1A2 1859/4885CYP3A4 2529/4885

“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.