SCHEMBL18511509

SCHEMBL18511509

Cc1ccc(CCN(C)[C@H](C(=O)OCc2ccccc2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.43
▸ LTB4R Q15722 2/20 0.43
▸ LTB4R2 Q9NPC1 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ UTS2R Q9UKP6 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL16202140 0.91 KDM4E (0.58) KDM4ESIGMAR1LTB4RLTB4R2ALDH1A1
SCHEMBL18522832 0.91 KDM4E (0.58) KDM4ESIGMAR1LTB4RLTB4R2ALDH1A1
SCHEMBL18511507 0.90 KDM4E (0.47) KDM4ESIGMAR1LTB4RLTB4R2TDP1
SCHEMBL18511513 0.89 KDM4E (0.46) KDM4ESIGMAR1LTB4RLTB4R2ALDH1A1
SCHEMBL18522846 0.89 KDM4E (0.46) KDM4ESIGMAR1LTB4RLTB4R2ALDH1A1
Hydrochloric Acid SCHEMBL18489871 0.88 KDM4E (0.45) KDM4ESIGMAR1LTB4RLTB4R2ALDH1A1
Hydrochloric Acid SCHEMBL17203024 0.88 KDM4E (0.45) KDM4ESIGMAR1LTB4RLTB4R2ALDH1A1
SCHEMBL18489859 0.87 KDM4E (0.44) KDM4ESIGMAR1LTB4RLTB4R2MAPT
SCHEMBL18522836 0.87 KDM4E (0.44) KDM4ESIGMAR1LTB4RLTB4R2MAPT
SCHEMBL18489870 0.81 PAX8 (0.42) KDM4ESIGMAR1LTB4RLTB4R2L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669106-B2 Conjugate of monomethyl auristatin F and trastuzumab and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2017-06-06 — — US disclosed
WO-2017072196-A1 COMPOSITION FOR THE TREATMENT OF IGF-1R EXPRESSING CANCER PIERRE FABRE MEDICAMENT (FR) 2017-05-04 — — WO disclosed
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-04-27 — — US disclosed
US-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 — — US disclosed
US-20170043031-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 — — 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 (3 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-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 KDM4E 1659/4885SIGMAR1 4684/4885LTB4R 1832/4885
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER AURKC, AURKA, EGFR KDM4E 678/4885SIGMAR1 4578/4885LTB4R 4254/4885
US-20170043031-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER IGF1R, IGFBP1, IGFBP5 KDM4E 1679/4885SIGMAR1 2924/4885LTB4R 1415/4885

“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.

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