SCHEMBL4308934

SCHEMBL4308934

COc1ccc2cc(C(C)(C)C)c(OCC(=O)C(C)(C)C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.44
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 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
SCHEMBL4317710 0.81 RAB9A (0.44) HPGDSALDH1A1NPC1RAB9AKDM4E
SCHEMBL13912933 0.78 HPGDS (0.38) HPGDSALDH1A1NPC1RAB9APOLB
SCHEMBL13912953 0.77 KDM4E (0.38) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL13912950 0.77 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL4313027 0.77 ALDH1A1 (0.41) HPGDSALDH1A1NPC1RAB9AKDM4E
SCHEMBL13912942 0.74 AR (0.36) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL13912924 0.72 SMN1; SMN2 (0.38) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL12622681 0.70 LMNA (0.53) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL4305063 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL4311033 0.69 LMNA (0.46) HPGDSALDH1A1NPC1RAB9AKDM4E

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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 HPGDS 1920/4885ALDH1A1 1707/4885NPC1 474/4885

“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.