SCHEMBL19992116

SCHEMBL19992116

CN1CCC(Nc2ccc3cc(C(C)(C)Oc4ccc5c(c4)nc4c(C(C)(C)O)cc6ccc(NCCN7CCOCC7)nc6n45)c4nc5ccccc5n4c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ GLA P06280 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HIF1A Q16665 2/20 0.37
▸ BRD4 O60885 6/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CASP7 P55210 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ SPIN1 Q9Y657 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33

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
SCHEMBL18057405 0.84 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18057406 0.81 ALDH1A1 (0.36) KDM4EALDH1A1GAABRD4SMN1; SMN2
SCHEMBL18057401 0.76 POLR1A (0.38) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL23161881 0.74 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL20078408 0.72 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18042588 0.71 CNR1 (0.50) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19335990 0.71 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19992223 0.70 PIM1 (0.32) —
SCHEMBL17254980 0.70 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL17254975 0.69 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590134-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-03-17 — — US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — 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 (2 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-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885ALDH1A1 3165/4885HPGD 273/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885HPGD 426/4885

“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.

Send feedback