SCHEMBL9911027

SCHEMBL9911027

CCOC(=O)CC(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
F2 P00734 1/20 0.43
MMP8 P22894 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
PPID Q08752 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
F10 P00742 1/20 0.40
HSD11B1 P28845 1/20 0.40
POLB P06746 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
SCHEMBL1915093 0.87 KMT2A (0.45) ALDH1A1MEN1KMT2ALMNA
SCHEMBL1244623 0.86 TSHR (0.55) ALDH1A1TSHRGAAF2MMP8
SCHEMBL27589605 0.85 AAK1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL28208115 0.85 AAK1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL8011431 0.84 MAPT (0.45) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL27663392 0.84 MAPT (0.45) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL10411231 0.84 TSHR (0.53) ALDH1A1TSHRGAAF2MMP8
SCHEMBL2293652 0.83 MEN1 (0.55) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL9911026 0.83 TSHR (0.51) ALDH1A1TSHRGAAF2MMP8
SCHEMBL10886503 0.82 CYP1A2 (0.46) ALDH1A1GAAL3MBTL1MEN1KMT2A

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-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 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 (5 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 ALDH1A1 927/4885TSHR 3290/4885GAA 3866/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 ALDH1A1 927/4885TSHR 3290/4885GAA 3866/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 ALDH1A1 822/4885TSHR 2797/4885GAA 3573/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 ALDH1A1 927/4885TSHR 3290/4885GAA 3866/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 ALDH1A1 927/4885TSHR 3290/4885GAA 3866/4885

“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.