SCHEMBL6474189

SCHEMBL6474189

NC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.46
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
BPTF Q12830 1/20 0.43
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL16542704 0.87 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL29254327 0.83 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL14791584 0.82 PRSS1 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL20533381 0.81 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA9
SCHEMBL7305803 0.81 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA9
SCHEMBL13126733 0.81 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL1133345 0.80 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL12406395 0.79 ALDH1A1 (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL16451613 0.79 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL6474186 0.79 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
US-7348333-B2 Cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. (FR) 2008-03-25 US disclosed
US-6867208-B2 Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
US-20030119785-A1 Vitronectin receptor antagonists, their preparation and use HOECHST AKTIENGESELLSCHAFT AND GENENTECH INC. 2003-06-26 US disclosed
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use GENENTECH, INC. AND HOECHST AKTIENGESELLSCHAFT 2003-02-06 US disclosed
US-6482821-B2 ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS; CARDIOVACULAR DISORDERS HOECHST AKTIENGELLSCHAFT (DE) 2002-11-19 US disclosed
US-6387895-B1 BONE DISORDERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-20010011087-A1 Vitronectin receptor antagonists, their preparation and their use WEHNER VOLKMAR (DE) 2001-08-02 US disclosed
US-6218387-B1 AS INHIBITORS OF BONE RESORPTION BY OSTEOCLASTS, FOR INHIBITING TUMOR GROWTH OR TUMOR METASTASIS, INHIBITING INFLAMMATION, OR FOR TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES, NEUROPATHIES OR RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
US-6207663-B1 AS INHIBITORS OF BONE RESORPTION, TUMOR GROWTH, TUMOR METASTASIS, OR INFLAMMATION, OR FOR THE TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS, NEPHROPATHIES OR RETINOPATHIES HOECHST ATKIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 US disclosed
US-5990145-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
EP-0854145-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP disclosed
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 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-20030119785-A1 Vitronectin receptor antagonists, their preparation and use ADGRF1, CFD, ADGRE5 ALDH1A1 3332/4885CA12 2771/4885CA1 3367/4885
US-20010011087-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, BSG, ADGRE5 ALDH1A1 3191/4885CA12 3274/4885CA1 3434/4885
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, ADGRE5, BSG ALDH1A1 3286/4885CA12 3181/4885CA1 3563/4885

“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.