SCHEMBL4850317

SCHEMBL4850317

COc1cccc(-c2c[nH]c3ccccc23)c1CCN(CCCCCC=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
MC5R P33032 9/20 0.37
MC4R P32245 8/20 0.37
MC3R P41968 8/20 0.37
HAT1 O14929 1/20 0.36
EP300 Q09472 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
SCHEMBL4851398 0.89 TACR1 (0.38) CDK4CCND1HDAC1HDAC6CTNNB1
SCHEMBL4861724 0.83 MC5R (0.43) CDK4CCND1MC5RMC4RMC3R
SCHEMBL4856817 0.81 CDK4 (0.41) CDK4CCND1HDAC1HDAC6MAPT
SCHEMBL4854966 0.77 MC5R (0.43) KMT2AMC5RMC4RMC3R
SCHEMBL4862456 0.75 NAMPT (0.42) CDK4CCND1HDAC1MAPTMEN1
SCHEMBL4862150 0.72 ACLY (0.37) MAPTMEN1KMT2A
SCHEMBL4850312 0.72 CTNNB1 (0.57) CDK4CCND1HDAC1HDAC6CTNNB1
SCHEMBL4863063 0.71 TACR1 (0.39) CDK4CCND1HDAC1HDAC6MAPT
SCHEMBL4856813 0.71 CTNNB1 (0.58) CDK4CCND1HDAC1HDAC6CTNNB1
SCHEMBL27593077 0.70 CTNNB1 (0.57) CDK4CCND1CTNNB1WNT3AMAPT

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
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-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 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

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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CDK4 4379/4885CCND1 2399/4885HDAC1 1053/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CDK4 4379/4885CCND1 2399/4885HDAC1 1053/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CDK4 4330/4885CCND1 2567/4885HDAC1 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.