SCHEMBL4889003

SCHEMBL4889003

CCn1c(=O)n(CC)c2cc(C(=O)CCCCCl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 14/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.40
▸ HSD17B3 P37058 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL11840849 0.83 KDM4E (0.49) ALDH1A1KDM4EMAPT
SCHEMBL4859467 0.81 SMN1; SMN2 (0.55) ALDH1A1KDM4EGAAMAPTCYP1A2
SCHEMBL11748374 0.79 KDM4E (0.50) ALDH1A1KDM4EMAPT
SCHEMBL6205386 0.76 HPD (0.58) HPDALDH1A1KDM4EGAAMAPT
SCHEMBL11812982 0.74 KDM4E (0.48) ALDH1A1KDM4EMAPTSIGMAR1HSD17B3
SCHEMBL16548465 0.73 KDM4E (0.53) ALDH1A1KDM4EMAPT
SCHEMBL5837327 0.73 KDM4E (0.58) HPDALDH1A1KDM4EGAAMAPT
SCHEMBL4850384 0.71 MAOB (0.42) ALDH1A1KDM4EGAAMAPTSIGMAR1
SCHEMBL4862180 0.71 MAOB (0.44) ALDH1A1KDM4EMAPT
SCHEMBL22534570 0.70 HSD17B3 (0.54) ALDH1A1KDM4EHSD17B3NPC1

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 6 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-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 HPD 713/4885ALDH1A1 118/4885KDM4E 3792/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HPD 713/4885ALDH1A1 118/4885KDM4E 3792/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE HPD 384/4885ALDH1A1 212/4885KDM4E 3707/4885

“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.

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