SCHEMBL9911025

SCHEMBL9911025

CC(C)(C)OC(=O)C(CC(=O)N1CCCCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 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
SCHEMBL703098 0.81 HPGD (0.62) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL20045534 0.79 HPGD (0.46) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8011431 0.79 MAPT (0.45) KMT2AMEN1CYP2C19GAAALDH1A1
SCHEMBL27663392 0.79 MAPT (0.45) KMT2AMEN1CYP2C19GAAALDH1A1
SCHEMBL10886495 0.76 AAK1 (0.40) KMT2AMEN1GAA
SCHEMBL10886503 0.76 CYP1A2 (0.46) KMT2AMEN1CYP1A2CYP2C19GAA
SCHEMBL26330804 0.76 HPGD (0.72) HPGDKMT2AMEN1CYP1A2CYP3A4
SCHEMBL1915093 0.75 KMT2A (0.45) KMT2AMEN1ALDH1A1
SCHEMBL3860417 0.75 CACNA2D1 (0.59) CACNA1HCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2293652 0.74 MEN1 (0.55) KMT2AMEN1GAAALDH1A1POLB

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 HPGD 333/4885KMT2A 3816/4885MEN1 592/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 HPGD 333/4885KMT2A 3816/4885MEN1 592/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 HPGD 401/4885KMT2A 3447/4885MEN1 735/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 HPGD 333/4885KMT2A 3816/4885MEN1 592/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 HPGD 333/4885KMT2A 3816/4885MEN1 592/4885

“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.