SCHEMBL54007

SCHEMBL54007

C=C(C)C(=O)NCC(C)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32

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
Hydrochloric Acid SCHEMBL452931 0.98 TGFBR1 (0.37) TGFBR1RXFP1TDP1TSHRCYP2D6
SCHEMBL30176231 0.84 CYP2D6 (0.40) CYP2D6CYP2C19KDM4EPOLBGABRP
SCHEMBL24369549 0.83 CYP2D6 (0.33) CYP2D6CYP2C19GABRPGABRDGABRA1
SCHEMBL9759560 0.83 TGFBR1 (0.38) TGFBR1RXFP1TDP1ALDH1A1
SCHEMBL366427 0.82 CYP2D6 (0.52) TGFBR1RXFP1TDP1TSHRCYP2D6
SCHEMBL12642676 0.80 TGFBR1 (0.39) TGFBR1RXFP1TDP1TSHRCYP2D6
SCHEMBL9289423 0.80 TGFBR1 (0.39) TGFBR1RXFP1TDP1TSHRCYP2D6
SCHEMBL16097 0.80 TGFBR1 (0.39) TGFBR1RXFP1TDP1TSHRCYP2D6
SCHEMBL10187391 0.79 GFPT1 (0.46) TGFBR1SLC7A5
SCHEMBL5722555 0.79 ANPEP (0.44) TGFBR1RXFP1TDP1TSHRGABRP

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 232 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104587484-A POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS INC 2015-05-06 CN claimed
US-20150071872-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS INC (US) 2015-03-12 US claimed
CN-102686243-B Polymeric systems for anticancer agent delivery REXAHN PHARMACEUTICALS INC 2015-02-18 CN claimed
US-8846110-B2 Polymeric systems for the delivery of anticancer drugs REXAHN PHARMACEUTICALS, INC. (US) 2014-09-30 US claimed
CN-102686243-A Polymeric systems for anticancer agent delivery REXAHN PHARMACEUTICALS INC 2012-09-19 CN claimed
EP-2488207-A2 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER AGENTS Rexahn Pharmaceuticals, Inc. (US) 2012-08-22 EP claimed
US-8163390-B2 Radiation-curable compounds BASF SE (DE) 2012-04-24 US claimed
WO-2011047051-A2 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER AGENTS REXAHN PHARMACEUTICALS, INC. (US) 2011-04-21 WO claimed
US-20110086111-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS, INC. (US) 2011-04-14 US claimed
US-20100098950-A1 RADIATION-CURABLE COMPOUNDS BASF SE (DE) 2010-04-22 US claimed
EP-1727868-B1 CER COMPOUNDS USED AS INITIATORS FOR DUAL CURING BASF SE (DE) 2008-05-28 EP claimed
WO-2008043723-A1 RADIATION-CURABLE COMPOUNDS BASF SE (DE) 2008-04-17 WO claimed
WO-2008043722-A1 RADIATION-CURABLE COMPOUNDS BASF SE (DE) 2008-04-17 WO claimed
EP-1902082-A1 COATING MASSES COMPRISING 2,4'-DIISOCYANATODIPHENYLMETHANE BASF SE (DE) 2008-03-26 EP claimed
WO-2007088126-A2 COATINGS REPARABLE BY ENERGY DISCHARGE BASF SE (DE) 2007-08-09 WO claimed
US-20070172668-A1 Cer compounds used as initiators for dual curing BASF AKTIENGESELLSCHAFT (DE) 2007-07-26 US claimed
WO-2007000415-A1 COATING MASSES COMPRISING 2,4'-DIISOCYANATODIPHENYLMETHANE BASF AKTIENGESELLSCHAFT (DE) 2007-01-04 WO claimed
EP-1727868-A1 CER COMPOUNDS USED AS INITIATORS FOR DUAL CURING BASF Aktiengesellschaft (DE) 2006-12-06 EP claimed
WO-2005090489-A1 CER COMPOUNDS USED AS INITIATORS FOR DUAL CURING BASF AKTIENGESELLSCHAFT (DE) 2005-09-29 WO claimed
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110086111-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS APEH, LNPEP, CPA3 TGFBR1 3625/4885RXFP1 4415/4885TDP1 2359/4885
US-20150071872-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS APEH, LNPEP, CPA3 TGFBR1 3625/4885RXFP1 4415/4885TDP1 2359/4885

“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.