SCHEMBL9911024

SCHEMBL9911024

O=C(O)C(CCN1CCCCC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
RAB9A P51151 2/20 0.54
GFER P55789 2/20 0.54
MITF O75030 1/20 0.54
HTT P42858 1/20 0.54
PAX8 Q06710 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR2B P41595 1/20 0.53
KMT2A Q03164 3/20 0.51
NTSR1 P30989 1/20 0.50
UTS2R Q9UKP6 1/20 0.49

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
SCHEMBL10763817 0.90 ALDH1A1 (0.54) ALDH1A1RAB9AGFERMITFHTT
SCHEMBL1650934 0.86 ALDH1A1 (0.52) ALDH1A1RAB9AGFERMITFHTT
SCHEMBL22338170 0.84 ALDH1A1 (0.57) ALDH1A1RAB9AMITFHTTATM
SCHEMBL10572767 0.84 HTR1A (0.54) ALDH1A1RAB9AGFERMITFHTT
SCHEMBL2596926 0.83 ALDH1A1 (0.69) ALDH1A1RAB9AGFERMITFHTT
SCHEMBL27772020 0.83 ALDH1A1 (0.69) ALDH1A1RAB9AGFERMITFHTT
Hydrochloric Acid SCHEMBL22323092 0.83 ALDH1A1 (0.59) ALDH1A1RAB9AMITFHTTPAX8
SCHEMBL8343572 0.83 HTR1A (0.56) HTR1AKMT2A
Hydrochloric Acid SCHEMBL2551763 0.82 ALDH1A1 (0.72) ALDH1A1RAB9AGFERMITFHTT
SCHEMBL10767772 0.82 RAB9A (0.50) ALDH1A1RAB9AGFERMITFHTT

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 927/4885RAB9A 2298/4885GFER 4250/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 ALDH1A1 927/4885RAB9A 2298/4885GFER 4250/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 ALDH1A1 822/4885RAB9A 2056/4885GFER 4386/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 ALDH1A1 927/4885RAB9A 2298/4885GFER 4250/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 ALDH1A1 927/4885RAB9A 2298/4885GFER 4250/4885

“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.