SCHEMBL1017790

SCHEMBL1017790

Cc1cc(SCC(C)(C)O)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.44
NR1H4 Q96RI1 1/20 0.41
RXRA P19793 1/20 0.40
ALDH1A1 P00352 1/20 0.37
RARB P10826 1/20 0.37
MYC P01106 3/20 0.36
PPARD Q03181 2/20 0.36
MCL1 Q07820 2/20 0.36
BCL2A1 Q16548 1/20 0.35
PLK1 P53350 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KLKB1 P03952 1/20 0.33
CTSB P07858 1/20 0.33
ELANE P08246 1/20 0.33
MMP9 P14780 1/20 0.33
DUSP3 P51452 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 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
SCHEMBL1017465 0.83 TSHR (0.46) NR1H4ALDH1A1MYCMCL1BCL2A1
SCHEMBL10737641 0.79 RXRB (0.41) RXRBNR1H4RXRAALDH1A1RARB
SCHEMBL31632673 0.78 HTT (0.49) RXRBNR1H4RXRAALDH1A1RARB
SCHEMBL7789753 0.77 MCL1 (0.40) RXRBNR1H4RXRAALDH1A1RARB
SCHEMBL1017939 0.75 RXRB (0.38) RXRBNR1H4RXRAALDH1A1RARB
SCHEMBL1017987 0.74 MCL1 (0.61) RXRBRXRAALDH1A1RARBMCL1
SCHEMBL9107279 0.73 PLK1 (0.61) RARBPLK1
SCHEMBL20503271 0.73 PLK1 (0.61) RARBPLK1
SCHEMBL17908058 0.71 RXRB (0.57) RXRBNR1H4RXRAALDH1A1RARB
SCHEMBL1019057 0.71 ABL1 (0.40) ALDH1A1LMNARAB9ASMN1; SMN2

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
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20150111879-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS, INC. (US) 2015-04-23 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 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 (7 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-20150111879-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RXRB 67/4885NR1H4 425/4885RXRA 108/4885
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RXRB 67/4885NR1H4 425/4885RXRA 108/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RXRB 67/4885NR1H4 425/4885RXRA 108/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RXRB 67/4885NR1H4 425/4885RXRA 108/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RXRB 67/4885NR1H4 425/4885RXRA 108/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RXRB 67/4885NR1H4 425/4885RXRA 108/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO RXRB 67/4885NR1H4 425/4885RXRA 108/4885

“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.