SCHEMBL4858690

SCHEMBL4858690

COc1ccccc1CCCN(CCCCC(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
TRIM24 O15164 3/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.42
NOTUM Q6P988 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4858566 0.97 TSHR (0.44) TSHRTRIM24ALDH1A1HPGDKDM4E
SCHEMBL4861185 0.90 TRIM24 (0.45) TSHRTRIM24ALDH1A1HPGDKDM4E
SCHEMBL4858838 0.89 THRB (0.47) MAPTLMNASMN1; SMN2
SCHEMBL13987389 0.89 ALDH1A1 (0.46) TSHRTRIM24ALDH1A1HPGDKDM4E
SCHEMBL13987397 0.88 ALDH1A1 (0.46) TSHRTRIM24ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL4858342 0.88 ALDH1A1 (0.46) TSHRTRIM24ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL4861017 0.87 ALDH1A1 (0.45) TSHRTRIM24ALDH1A1HPGDKDM4E
SCHEMBL4861455 0.87 ACHE (0.44) MAPT
SCHEMBL4851555 0.87 ALDH1A1 (0.42) TSHRALDH1A1HPGDKDM4ERECQL
SCHEMBL4854070 0.87 TRIM24 (0.43) TSHRTRIM24ALDH1A1HPGDKDM4E

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 TSHR 4026/4885TRIM24 2031/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TSHR 4026/4885TRIM24 2031/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TSHR 4425/4885TRIM24 2922/4885ALDH1A1 212/4885

“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.