SCHEMBL762349

SCHEMBL762349

CCCCCCCCC(CCCCCC)COc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 2/20 0.49
SCN4A P35499 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL12581112 0.87 CYP3A4 (0.50) KDM4ECYP1A2SCN4ATDP1ALOX15
SCHEMBL10336842 0.83 CYP1A2 (0.60) KDM4ECYP1A2TDP1PRSS1PRSS2
SCHEMBL9437433 0.83 PRSS1 (0.47) CYP1A2PRSS1PRSS2PRSS3KMT2A
SCHEMBL9437435 0.83 PRSS1 (0.47) PRSS1PRSS2PRSS3KMT2AMEN1
SCHEMBL13007524 0.81 ADRB2 (0.44) PRSS1PRSS2PRSS3ADRB2ADRB1
SCHEMBL18837359 0.80 HTR1B (0.52) KDM4ECYP1A2KMT2AMEN1LMNA
SCHEMBL22207345 0.79 ALDH1A1 (0.58) CYP1A2TDP1KMT2AMEN1LMNA
SCHEMBL22207443 0.79 ALDH1A1 (0.58) CYP1A2TDP1KMT2AMEN1LMNA
SCHEMBL22207131 0.79 ALDH1A1 (0.58) CYP1A2TDP1KMT2AMEN1LMNA
SCHEMBL22207292 0.79 ALDH1A1 (0.58) CYP1A2TDP1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841411-B2 Polymers BASF SE (DE) 2014-09-23 US disclosed
US-8841411-B2 Polymers BASF SE (DE) 2014-09-23 US disclosed
EP-2514736-A1 Intermediates for Polymers BASF SE (DE) 2012-10-24 EP disclosed
US-8138303-B2 Polymers BASF SE (DE) 2012-03-20 US disclosed
US-8138303-B2 Polymers BASF SE (DE) 2012-03-20 US disclosed
US-7968872-B2 Polymers BASF SE (DE) 2011-06-28 US disclosed
US-7968872-B2 Polymers BASF SE (DE) 2011-06-28 US disclosed
US-20110152491-A1 NOVEL POLYMERS BASF SE (DE) 2011-06-23 US disclosed
US-20110152491-A1 NOVEL POLYMERS BASF SE (DE) 2011-06-23 US disclosed
EP-1981929-B1 NOVEL POLYMERS BASF SE (DE) 2010-12-22 EP disclosed
US-20100249349-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2010-09-30 US disclosed
US-20100249349-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2010-09-30 US disclosed
WO-2010006852-A1 NOVEL POLYMERS BASF SE (DE) 2010-01-21 WO disclosed
US-20090203866-A1 Novel Polymers BASF SE (DE) 2009-08-13 US disclosed
US-20090203866-A1 Novel Polymers BASF SE (DE) 2009-08-13 US disclosed
WO-2008012250-A1 NOVEL POLYMERS CIBA HOLDING INC. (CH) 2008-01-31 WO disclosed
WO-2007090773-A1 NOVEL POLYMERS CIBA HOLDING INC. (CH) 2007-08-16 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 (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-20110152491-A1 NOVEL POLYMERS PLEC, PUF60, VIM KDM4E 3878/4885CYP1A2 3322/4885SCN4A 3774/4885
US-20090203866-A1 Novel Polymers PLEC, PUF60, VIM KDM4E 3878/4885CYP1A2 3322/4885SCN4A 3774/4885
US-20100249349-A1 Novel Polymers OCIAD2, OCIAD1, SLCO4C1 KDM4E 3738/4885CYP1A2 1169/4885SCN4A 3156/4885

“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.