SCHEMBL5323366

SCHEMBL5323366

CCC(c1ccc2ccccc2c1)C(N)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.51
SLC6A4 P31645 17/20 0.51
SLC6A3 Q01959 17/20 0.51
KCNH2 Q12809 11/20 0.51
CYP2D6 P10635 8/20 0.51
CYP3A4 P08684 5/20 0.51
PDPK1 O15530 1/20 0.45
TPH1 P17752 1/20 0.43
UGT2B7 P16662 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
SCHEMBL5322444 0.83 GABBR2 (0.49) CYP2D6
SCHEMBL839944 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5320805 0.82 UGT2B7 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12320565 0.81 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL31165823 0.79 KMT2A (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5720949 0.79 KMT2A (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL21690086 0.79 KMT2A (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5720938 0.79 KMT2A (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5323449 0.78 CYP26A1 (0.43)
SCHEMBL12278973 0.78 UGT2B7 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO 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-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

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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 SLC6A2 3882/4885SLC6A4 3604/4885SLC6A3 4225/4885
US-20020099209-A1 Dihydrostilbene alkanoic acid derivatives ITGA5, ITGB5, ITGB1 SLC6A2 2455/4885SLC6A4 2495/4885SLC6A3 1727/4885

“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.