SCHEMBL12374727

SCHEMBL12374727

C/C=C/C(=O)OCCN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40

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
SCHEMBL14384487 1.00 KMT2A (0.45) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL23352294 0.98 KMT2A (0.43) KMT2AMEN1HPGDNPSR1KDM4E
Hydrochloric Acid SCHEMBL16038209 0.87 KMT2A (0.49) KMT2AMEN1HPGDNPSR1KDM4E
Hydrochloric Acid SCHEMBL16037851 0.85 KMT2A (0.46) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL16448942 0.85 HCAR2 (0.53) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL16448940 0.85 ACHE (0.47) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL16090954 0.85 KMT2A (0.44) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL16435308 0.85 KMT2A (0.44) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL15171911 0.85 KMT2A (0.44) KMT2AMEN1HPGDNPSR1KDM4E
SCHEMBL22782066 0.84 KMT2A (0.38) KMT2AMEN1HPGDNPSR1KDM4E

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-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-7691883-B2 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-06 US disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
US-20070265228-A1 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 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-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 KMT2A 4362/4885MEN1 2870/4885HPGD 1386/4885
US-20070265228-A1 Cinnamoyl compound and use of the same NPC1, CES2, CYP51A1 KMT2A 3443/4885MEN1 876/4885HPGD 1703/4885
US-20090143368-A1 Use of Cinnamoyl Compound COL2A1, COL1A1, SMAD2 KMT2A 2275/4885MEN1 3367/4885HPGD 1368/4885

“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.