SCHEMBL16665451

SCHEMBL16665451

C=CCCC[C@@H]1C[C@H]1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
MAPT P10636 3/20 0.34
ABCC4 O15439 1/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL18770890 0.81 FAAH (0.37) FAAHMAPTABCC4ALDH1A1LMNA
SCHEMBL16853952 0.81 FAAH (0.38) FAAHMAPTABCC4ALDH1A1LMNA
SCHEMBL16850620 0.76
SCHEMBL15423594 0.75 LMNA (0.36) FAAHMAPTABCC4ALDH1A1LMNA
SCHEMBL15423595 0.75 LMNA (0.36) FAAHMAPTABCC4ALDH1A1LMNA
SCHEMBL26951502 0.73
SCHEMBL26951527 0.73
SCHEMBL15177351 0.73 ALOX5 (0.55) MAPTALDH1A1TSHRCYP3A4HPGD
SCHEMBL31348991 0.73 GABRR1 (0.36) FAAHMAPTABCC4
SCHEMBL31348988 0.73 GABRR1 (0.36) FAAHMAPTABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873707-B2 Methods and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2018-01-23 US disclosed
US-9873707-B2 Methods and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2018-01-23 US disclosed
US-20160251375-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2016-09-01 US disclosed
US-20160251375-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2016-09-01 US disclosed
WO-2015095437-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015057611-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2015-04-23 WO 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 (1 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-20160251375-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS EMG1, DPP8, OTUB1 FAAH 2699/4885MAPT 4643/4885ABCC4 3001/4885

“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.