SCHEMBL4472382

SCHEMBL4472382

CC(C)CCN(CCC(C)C)C(=O)Cc1c(C(=O)C(C)(C)C)sc2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
TSPO P30536 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL4189697 0.95 KDM4E (0.35) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4186278 0.92 MTNR1A (0.34) KDM4EMTNR1AMTNR1BMEN1KMT2A
SCHEMBL4191239 0.88 POLB (0.46) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4478135 0.87 ICAM1 (0.41) KDM4ETDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4191256 0.86 KDM4E (0.41) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4477839 0.85 KDM4E (0.48) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL4193966 0.84 POLB (0.43) KDM4EPOLBAPEX1TDP1MEN1
SCHEMBL4480632 0.82 MTNR1A (0.34) KDM4EMTNR1AMTNR1BPOLBAPEX1
SCHEMBL4191664 0.82 ICAM1 (0.39) KDM4ETDP1ALDH1A1MAPTHPGD
SCHEMBL4181611 0.80 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1MAPT

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 5 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 claimed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
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
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 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-20060276504-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 KDM4E 1362/4885MTNR1A 424/4885MTNR1B 356/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 KDM4E 1431/4885MTNR1A 460/4885MTNR1B 347/4885

“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.