SCHEMBL3738802

SCHEMBL3738802

COc1ccc(C(=O)CCCCCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.68
HDAC8 Q9BY41 4/20 0.65
HDAC1 Q13547 4/20 0.65
MAPT P10636 1/20 0.65
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
MMP1 P03956 1/20 0.57
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
GSK3B P49841 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL7142354 0.98 HDAC8 (0.68) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL319315 0.95 PDE4B (0.70) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL3171960 0.91 PDE4B (0.79) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL2336836 0.87 MAPT (0.66) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL4082864 0.87 PDE4B (0.86) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL8570532 0.86 CYP1A2 (0.67) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL1304627 0.84 PDE4B (0.70) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL7923588 0.84 PDE4B (0.70) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL7928597 0.84 PDE4B (0.70) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL2413943 0.84 PDE4B (0.93) PDE4BHDAC8HDAC1MAPTNPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed
US-6087346-A Sigma receptor ligands and the use thereof CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-07-11 US disclosed
EP-0714292-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE INC (US) 1996-10-09 EP disclosed
EP-0714292-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-06-05 EP disclosed
WO-1995000131-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INCORPORATED (US) 1995-01-05 WO disclosed
US-3946022-A ANTIHISTAMINES, ANTIALLERGENS, BRONCHODILATORS RICHARDSON-MERRELL INC. (US) 1976-03-23 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 (3 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 PDE4B 2527/4885HDAC8 854/4885HDAC1 1130/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDE4B 209/4885HDAC8 1946/4885HDAC1 1053/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PDE4B 270/4885HDAC8 1655/4885HDAC1 1830/4885

“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.