SCHEMBL4851970

SCHEMBL4851970

CCOc1ccccc1OCCN(CCCCC(=O)c1ccc2c(c1)CCC(=O)N2C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRA P10827 2/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ACHE P22303 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4852358 0.90 CYP11B1 (0.38) CYP19A1CYP11B1CYP11B2CYP3A4THRA
SCHEMBL4861574 0.85 LMNA (0.47) POLBKDM4ETP53MAPTLMNA
SCHEMBL6035026 0.83 HTR1A (0.42) CYP19A1CYP11B1CYP11B2CYP3A4THRB
SCHEMBL4852133 0.83 ACHE (0.40) POLBACHEMAPTLMNA
Hydrochloric Acid SCHEMBL4858677 0.83 HTR1A (0.43) CYP19A1CYP11B1CYP11B2CYP3A4THRB
SCHEMBL4859380 0.80 DRD2 (0.39) TMEM97ACHE
SCHEMBL4860916 0.80 ALDH1A1 (0.42) THRATHRBPOLBCASP6KDM4E
SCHEMBL4859742 0.80 NPC1 (0.47) ACHE
SCHEMBL4862746 0.77 LMNA (0.44) POLBKDM4ETP53MAPTLMNA
SCHEMBL4862988 0.76 TP53 (0.37) CYP11B1CYP11B2TP53

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 CYP19A1 818/4885CYP11B1 615/4885CYP11B2 872/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CYP19A1 818/4885CYP11B1 615/4885CYP11B2 872/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CYP19A1 554/4885CYP11B1 698/4885CYP11B2 655/4885

“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.