SCHEMBL6047764

SCHEMBL6047764

CCCCN(CC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2cc(OC)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
TSPO P30536 8/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6047806 0.96 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDNPC1LMNA
SCHEMBL6047769 0.92 KDM4E (0.43) ALDH1A1KDM4EHPGDNPC1LMNA
SCHEMBL6047832 0.90 ALDH1A1 (0.45) ALDH1A1NPC1LMNATSPOMEN1
SCHEMBL6047825 0.89 CNR2 (0.47) ALDH1A1TSPOMEN1KMT2ATDP1
SCHEMBL4696223 0.88 MTNR1A (0.43) ALDH1A1KDM4EHPGDNPC1LMNA
SCHEMBL6047805 0.86 MTNR1A (0.41) ALDH1A1KDM4EHPGDNPC1LMNA
SCHEMBL4780614 0.86 TSPO (0.44) TSPO
SCHEMBL6047761 0.83 ALDH1A1 (0.43) ALDH1A1TDP1CNR2CNR1
SCHEMBL6047788 0.83 CNR2 (0.43) ALDH1A1MEN1KMT2ATDP1CNR2
SCHEMBL6047783 0.83 CNR2 (0.46) ALDH1A1LMNATSPOMEN1KMT2A

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-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 ALDH1A1 2026/4885KDM4E 2009/4885HPGD 263/4885

“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.