SCHEMBL7905955

SCHEMBL7905955

CCCOC(=O)c1cccc(OCCC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
ADRB2 P07550 1/20 0.63
ADRB1 P08588 1/20 0.63
ADRB3 P13945 1/20 0.63
LMNA P02545 2/20 0.62
NR1H4 Q96RI1 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
SMPD1 P17405 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.52
KAT6A Q92794 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK1 P28482 1/20 0.52
ESR1 P03372 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51

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
SCHEMBL15344609 0.92 KMT2A (0.66) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL11749290 0.92 KMT2A (0.60) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL931897 0.92 KMT2A (0.69) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL23627035 0.91 SMPD1 (0.67) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL17961071 0.89 KMT2A (0.60) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL17961066 0.88 SMPD1 (0.66) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL9174494 0.87 KMT2A (0.59) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL11505600 0.87 SMN1; SMN2 (0.70) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL22497897 0.87 LMNA (0.62) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL2340354 0.87 KMT2A (0.71) KMT2AADRB2ADRB1ADRB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 CN claimed
US-8569195-B2 Internal and external donor compounds for olefin polymerization catalysts II BASF CORPORATION (US) 2013-10-29 US claimed
CN-102834420-A Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP 2012-12-19 CN claimed
US-9499528-B2 Class of near infrared molecular probes for biological applications THE UNIVERSITY OF AKRON (US) 2016-11-22 US disclosed
US-9499528-B2 Class of near infrared molecular probes for biological applications THE UNIVERSITY OF AKRON (US) 2016-11-22 US disclosed
EP-2782938-B1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF CORP (US) 2016-08-31 EP disclosed
US-20160221921-A1 SKIN WHITENING AGENT CONTAINING NOVEL CYCLIC COMPOUND RNS CO.,LTD. (KR) 2016-08-04 US disclosed
CN-104981452-A Skin whitening agent containing novel cyclic compound RNS CO LTD 2015-10-14 CN disclosed
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 CN disclosed
US-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON 2014-10-09 US disclosed
US-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON 2014-10-09 US disclosed
CN-102834420-A Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP 2012-12-19 CN disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 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 (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-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS ZKSCAN2, ZRANB2, ZNF787 KMT2A 4173/4885ADRB2 2710/4885ADRB1 1583/4885
US-20160221921-A1 SKIN WHITENING AGENT CONTAINING NOVEL CYCLIC COMPOUND H1-10, HCN1, HCN4 KMT2A 712/4885ADRB2 1386/4885ADRB1 862/4885

“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.