SCHEMBL13762163

SCHEMBL13762163

CCCN(CCC)C(=O)Cc1c(C(=O)C(C)(C)C)oc2ccc(CO)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSPO P30536 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 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
SCHEMBL13762167 0.96 POLB (0.37) POLBAPEX1TDP1TSPOMAPT
SCHEMBL13762157 0.94 LMNA (0.37) POLBAPEX1TDP1TSPOMAPT
SCHEMBL13762156 0.90 MLYCD (0.38) POLBAPEX1TDP1MAPTMEN1
SCHEMBL13762284 0.90 CYP1A2 (0.36) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL13762382 0.89 KDM4E (0.38) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL14012536 0.88 MEN1 (0.35) MEN1KMT2ARAB9ACA12CA2
SCHEMBL13762198 0.86 LMNA (0.38) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL13762283 0.86 ALDH1A1 (0.37) MAPTMEN1KMT2ARAB9ACA12
SCHEMBL13762285 0.86 MEN1 (0.34) MEN1KMT2ARAB9ACA12CA2
SCHEMBL4191948 0.84 MEN1 (0.45) POLBMAPTMEN1KMT2ARAB9A

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-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 US disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 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-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 POLB 3761/4885APEX1 3800/4885TDP1 2742/4885

“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.