SCHEMBL6177680

SCHEMBL6177680

[O-][n+]1ccccc1NCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 5/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE5A O76074 1/20 0.38
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
GSTM2 P28161 1/20 0.33
CDC25A P30304 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3217738 0.98 MAPT (0.42) KCNH3KDM4EMAPTALDH1A1GAA
SCHEMBL852975 0.93 POLB (0.40) KCNH3KDM4EMAPTALDH1A1GAA
SCHEMBL1441268 0.81 KCNH3 (0.41) KCNH3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4638849 0.79 LMNA (0.34) KDM4EMAPTALDH1A1LMNAHTT
Bromide SCHEMBL4638146 0.78 LMNA (0.33) KDM4EMAPTALDH1A1LMNAHTT
SCHEMBL7711293 0.73 SLC2A1 (0.49) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL6969037 0.72 TDP1 (0.47) TDP1
SCHEMBL6963178 0.72 KMT2A (0.34) KDM4EALDH1A1LMNAHTTKMT2A
SCHEMBL6659859 0.71 ALDH1A1 (0.47) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL6179092 0.69 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HPGDHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
US-20020099209-A1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2002-07-25 US disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO 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 (2 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-20020099209-A1 Dihydrostilbene alkanoic acid derivatives ITGA5, ITGB5, ITGB1 KCNH3 431/4885KDM4E 1684/4885MAPT 3807/4885
US-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR KCNH3 3323/4885KDM4E 4716/4885MAPT 4161/4885

“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.