SCHEMBL18511507

SCHEMBL18511507

CCc1ccc(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
▸ KMT2A Q03164 3/20 0.43
▸ LTB4R Q15722 2/20 0.43
▸ LTB4R2 Q9NPC1 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL18511509 0.90 KDM4E (0.47) KDM4ESIGMAR1KMT2ALTB4RLTB4R2
SCHEMBL18522846 0.89 KDM4E (0.46) KDM4ESIGMAR1KMT2ALTB4RLTB4R2
SCHEMBL18511513 0.89 KDM4E (0.46) KDM4ESIGMAR1KMT2ALTB4RLTB4R2
Hydrochloric Acid SCHEMBL18489871 0.88 KDM4E (0.45) KDM4ESIGMAR1KMT2ALTB4RLTB4R2
Hydrochloric Acid SCHEMBL17203024 0.88 KDM4E (0.45) KDM4ESIGMAR1KMT2ALTB4RLTB4R2
SCHEMBL18489859 0.87 KDM4E (0.44) KDM4ESIGMAR1KMT2ALTB4RLTB4R2
SCHEMBL18522836 0.87 KDM4E (0.44) KDM4ESIGMAR1KMT2ALTB4RLTB4R2
SCHEMBL20748783 0.81 PAX8 (0.42) KDM4ESIGMAR1LTB4RLTB4R2ALDH1A1

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 4 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
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 4684/4885KMT2A 2719/4885
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER AURKC, AURKA, EGFR KDM4E 678/4885SIGMAR1 4578/4885KMT2A 638/4885
US-20170043031-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER IGF1R, IGFBP1, IGFBP5 KDM4E 1679/4885SIGMAR1 2924/4885KMT2A 2876/4885

“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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