SCHEMBL5951346

SCHEMBL5951346

CC(C)C(=O)CC1CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
BLM P54132 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
XBP1 P17861 1/20 0.46
UGCG Q16739 1/20 0.44
KDM4C Q9H3R0 3/20 0.44
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
PDPK1 O15530 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL14356154 0.91 MTNR1B (0.47) TSHRBLMPDPK1
SCHEMBL9683763 0.83 BLM (0.50) TSHRBLMALDH1A1HTTXBP1
SCHEMBL3590904 0.81 FFAR1 (0.52) TSHRBLMALDH1A1HTTXBP1
SCHEMBL1568052 0.81 BLM (0.51) TSHRBLMALDH1A1HTTXBP1
SCHEMBL30301824 0.81 FFAR1 (0.52) TSHRBLMALDH1A1HTTXBP1
SCHEMBL10584761 0.80 TSHR (0.50) TSHRBLMALDH1A1HTTXBP1
SCHEMBL1725811 0.80 BLM (0.50) TSHRBLMALDH1A1HTTXBP1
SCHEMBL30572310 0.80 BLM (0.50) TSHRBLMALDH1A1HTTXBP1
SCHEMBL7038866 0.79 HAO1 (0.53) TSHRBLMALDH1A1HTTXBP1
SCHEMBL14632819 0.78 CYP19A1 (0.45) ALDH1A1HTTXBP1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357368-B2 Methods of treating pancreatic or liver cancer using hedgehog antagonists CURIS, INC. (US) 2013-01-22 US disclosed
US-8168178-B2 Methods and compositions for regulating lymphocyte activity CURIS, INC. (US) 2012-05-01 US disclosed
US-20120076996-A1 RESIST COMPOSITION, RESIST FILM THEREFROM AND METHOD OF FORMING PATTERN THEREWITH FUJIFILM CORPORATION (JP) 2012-03-29 US disclosed
US-20110008333-A1 METHODS OF INHIBITING UNWANTED CELL PROLIFERATION USING HEDGEHOG ANTAGONISTS CURIS, INC. (US) 2011-01-13 US disclosed
US-20100183560-A1 Angiogenesis-modulating compositions and uses CURIS, INC. (US) 2010-07-22 US disclosed
US-7708998-B2 Methods of inhibiting unwanted cell proliferation using hedgehog antagonists CURIS, INC. (US) 2010-05-04 US disclosed
US-7498304-B2 Angiogenesis-modulating compositions and uses CURIS, INC. (US) 2009-03-03 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 TSHR 1037/4885BLM 4026/4885ALDH1A1 4299/4885
US-20110008333-A1 METHODS OF INHIBITING UNWANTED CELL PROLIFERATION USING HEDGEHOG ANTAGONISTS GLI1, SHH, SMO TSHR 3027/4885BLM 4497/4885ALDH1A1 2236/4885
US-20100183560-A1 Angiogenesis-modulating compositions and uses SHH, TEK, SMO TSHR 2816/4885BLM 3735/4885ALDH1A1 1662/4885

“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.