SCHEMBL14968650

SCHEMBL14968650

CCC1(C(C)=O)Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MMP1 P03956 1/20 0.35
HTR2A P28223 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL19647403 0.84 NPSR1 (0.35) NPSR1MMP1HTR2AHDAC4HDAC9
SCHEMBL14968487 0.81 L3MBTL1 (0.41) ALDH1A1MMP1HDAC4HDAC9
SCHEMBL856934 0.78 NPSR1 (0.46) NPSR1ALDH1A1
SCHEMBL30645252 0.78 NPSR1 (0.46) NPSR1ALDH1A1
SCHEMBL19647091 0.75 CXCR5 (0.37) ALDH1A1MMP1
SCHEMBL16116728 0.72 HDAC9 (0.44) ALDH1A1HDAC9
SCHEMBL5802883 0.72 NPSR1 (0.35) NOTUMNPSR1ALDH1A1HTR2A
SCHEMBL855127 0.72 MME (0.42) NOTUMNPSR1ALDH1A1HDAC9
SCHEMBL22341280 0.71 THRB (0.36) ALDH1A1MMP1HDAC9
SCHEMBL14962754 0.71 MMP1 (0.36) NOTUMALDH1A1MMP1

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-9249186-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2016-02-02 US disclosed
US-20150307551-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. 2015-10-29 US disclosed
US-9138486-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2015-09-22 US disclosed
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. 2014-12-11 US disclosed
US-8828401-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2014-09-09 US disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 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-20150307551-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 NOTUM 3293/4885NPSR1 1206/4885ALDH1A1 3253/4885
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 NOTUM 3293/4885NPSR1 1206/4885ALDH1A1 3253/4885
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 NOTUM 3293/4885NPSR1 1206/4885ALDH1A1 3253/4885

“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.