SCHEMBL3917604

SCHEMBL3917604

CCCCN(CCCC)C(=O)Cc1c(C(=O)c2ccccc2)ccc2ccc(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
PGR P06401 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
MAPK1 P28482 1/20 0.46
HRH1 P35367 1/20 0.46
HTT P42858 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDE4D Q08499 1/20 0.46
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 3/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4318446 0.84 CYP1A2 (0.47) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3914676 0.82 LMNA (0.57) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL14373762 0.82 ALDH1A1 (0.51) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4307584 0.82 MTNR1A (0.57) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL13612573 0.81 ALDH1A1 (0.58) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4196096 0.80 MAPT (0.56) ALDH1A1LMNACYP1A2CYP2C19HPGD
SCHEMBL3917768 0.78 MTNR1A (0.55) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4317050 0.75 MTNR1A (0.59) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL13612579 0.74 CYP1A2 (0.56) POLBALDH1A1LMNACYP1A2CYP2D6
SCHEMBL14373766 0.74 ALDH1A1 (0.50) POLBALDH1A1LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US claimed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
EP-2032130-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2009-03-11 EP disclosed
WO-2007146136-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-12-21 WO 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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 POLB 3704/4885ALDH1A1 1796/4885LMNA 315/4885

“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.