SCHEMBL3985510

SCHEMBL3985510

CCCCN(CC)C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSPO P30536 6/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PDE5A O76074 1/20 0.36
ALOX15 P16050 1/20 0.36
EDNRB P24530 1/20 0.36

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
SCHEMBL3985323 0.96 KDM4E (0.39) TSPOKDM4EALDH1A1MAPK1HTT
SCHEMBL4102580 0.95 KDM4E (0.38) TSPOKDM4EALDH1A1MAPK1HTT
SCHEMBL3988525 0.91 KDM4E (0.40) TSPOKDM4EALDH1A1MAPK1HTT
SCHEMBL4104812 0.90 TSPO (0.39) TSPOTP53KDM4EALDH1A1MAPK1
SCHEMBL4106665 0.90 TSPO (0.39) TSPOTP53KDM4EALDH1A1MAPK1
SCHEMBL3991888 0.86 HSD17B10 (0.45) TSPOTP53THRBKDM4EALDH1A1
SCHEMBL3988517 0.85 ALDH1A1 (0.36) TSPOKDM4EALDH1A1MAPK1HTT
SCHEMBL4580656 0.85 KDM4E (0.36) TSPOKDM4EALDH1A1MAPK1HTT
SCHEMBL4114936 0.85 PDE5A (0.38) TSPOKDM4EALDH1A1MAPK1HTT
SCHEMBL4103872 0.84 KDM4E (0.37) TSPOKDM4EALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP claimed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP claimed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 WO claimed
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP disclosed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP disclosed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 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-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNH2, KCNN1, KCNH3 TSPO 1014/4885TP53 4839/4885THRB 2198/4885

“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.