SCHEMBL2428952

SCHEMBL2428952

C=Cc1[c]cccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
BACE1 P56817 1/20 0.33
DPP4 P27487 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18291028 0.79 ALDH1A1 (0.37) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL9594464 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10MAPK1
SCHEMBL10971886 0.79 ALDH1A1 (0.32) ALDH1A1TSHRCASP3SENP8SENP7
SCHEMBL5486722 0.77 CYP2A6 (0.39) CYP2A6
SCHEMBL5495085 0.76 IMPDH2 (0.36) ALDH1A1HSD17B10HPGD
SCHEMBL2646186 0.74 KDM4E (0.42) ALDH1A1HSD17B10HPGDMAPK1TDP1
SCHEMBL1469835 0.73 ADRB2 (0.36) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL185890 0.71 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL771645 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16954840 0.71

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
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP claimed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO claimed
EP-1546284-B1 REACTIVE DENDRIMERS UNIV OXFORD INNOVATION LTD (GB) 2018-04-04 EP disclosed
US-8025988-B2 Reactive organometallic dendrimers ISIS INNOVATION LIMITED (GB) 2011-09-27 US disclosed
US-20100228022-A1 Reactive Organometallic Dendrimers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2010-09-09 US disclosed
US-7740954-B2 Reactive dendrimers ISIS INNOVATION LIMITED (GB) 2010-06-22 US disclosed
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
US-20050164029-A1 Reactive dendrimers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2005-07-28 US disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed
US-6258506-B1 USING BLEND OF BENZOIN ETHER AND FREE RADICAL POLYMERIZABLE SILICONE POLYMER DOW CORNING ASIA, LTD. (JP) 2001-07-10 US disclosed
US-6051625-A Ultraviolet-curable polysiloxane composition and method for the formation of cured patterns therefrom DOW CORNING ASIA, LTD. (JP) 2000-04-18 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 (1 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-20100228022-A1 Reactive Organometallic Dendrimers ITGAM, CD40LG, DBN1 ALDH1A1 933/4885HSD17B10 1741/4885HPGD 545/4885

“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.