SCHEMBL12458152

SCHEMBL12458152

CC(C)C1CC(=O)N(CCCN2C(=O)C=CC2=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.46
FAAH O00519 4/20 0.46
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR35 Q9HC97 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
PTGS1 P23219 7/20 0.42

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
SCHEMBL12458153 0.95 MGLL (0.52) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL16675656 0.94 MGLL (0.39) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL835434 0.90 CYP19A1 (0.39) ALDH1A1LMNAPKMMAPK1HTT
SCHEMBL24520484 0.85 MGLL (0.56) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19601273 0.83 POLB (0.39) ALDH1A1LMNAPKMMAPK1HTT
SCHEMBL14328060 0.82 CYP19A1 (0.49) MGLLALDH1A1PKMSMN1; SMN2CYP19A1
SCHEMBL16867177 0.81 CYP19A1 (0.50) MGLLFAAHALDH1A1SMN1; SMN2PTGS1
SCHEMBL14327735 0.81 LMNA (0.37) ALDH1A1LMNAPKMMAPK1HTT
SCHEMBL20634216 0.79 CYP19A1 (0.51) MGLLFAAHSMN1; SMN2PTGS1PTGS2
SCHEMBL15431909 0.79 CYP19A1 (0.37) ALDH1A1LMNAPKMMAPK1HTT

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-20180037659-A1 METHODS OF PREPARATION OF CONJUGATES IMMUNOGEN, INC. 2018-02-08 US disclosed
US-9868791-B2 Methods of preparation of conjugates IMMUNOGEN, INC. (US) 2018-01-16 US disclosed
US-20160324980-A1 METHODS OF PREPARATION OF CONJUGATES IMMUNOGEN, INC. 2016-11-10 US disclosed
US-9353127-B2 Methods of preparation of conjugates IMMUNOGEN, INC. (US) 2016-05-31 US disclosed
US-20120238731-A1 METHODS OF PREPARATION OF CONJUGATES IMMUNOGEN, INC. (US) 2012-09-20 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-20120238731-A1 METHODS OF PREPARATION OF CONJUGATES MCL1, EPCAM, PAICS MGLL 4708/4885FAAH 4586/4885HSP90AA1 2082/4885
US-20160324980-A1 METHODS OF PREPARATION OF CONJUGATES MCL1, EPCAM, PAICS MGLL 4708/4885FAAH 4586/4885HSP90AA1 2082/4885
US-20180037659-A1 METHODS OF PREPARATION OF CONJUGATES MCL1, EPCAM, PAICS MGLL 4708/4885FAAH 4586/4885HSP90AA1 2082/4885

“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.