SCHEMBL9911026

SCHEMBL9911026

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.50
MMP8 P22894 1/20 0.47
F2 P00734 1/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.45
F10 P00742 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL10411231 0.91 TSHR (0.53) TSHRSMN1; SMN2ALDH1A1GAAMMP8
SCHEMBL1244623 0.90 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1GAAMMP8
SCHEMBL6686012 0.88 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1GAAMMP8
SCHEMBL655874 0.85 POLB (0.58) TSHRSMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL11740036 0.85 LMNA (0.53) TSHRSMN1; SMN2ALDH1A1GAAMMP8
SCHEMBL7427044 0.84 LMNA (0.56) TSHRSMN1; SMN2ALDH1A1GAAMMP8
SCHEMBL7178642 0.84 ALDH1A1 (0.55) TSHRSMN1; SMN2ALDH1A1MMP8F2
SCHEMBL9911027 0.83 ALDH1A1 (0.46) TSHRALDH1A1GAAMMP8F2
SCHEMBL15098509 0.82 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL1561401 0.82 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1GAAPOLB

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 TSHR 3290/4885SMN1; SMN2 3695/4885ALDH1A1 927/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 TSHR 3290/4885SMN1; SMN2 3695/4885ALDH1A1 927/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 TSHR 2797/4885SMN1; SMN2 3265/4885ALDH1A1 822/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 TSHR 3290/4885SMN1; SMN2 3695/4885ALDH1A1 927/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 TSHR 3290/4885SMN1; SMN2 3695/4885ALDH1A1 927/4885

“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.