SCHEMBL7023237

SCHEMBL7023237

C=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PDE4B Q07343 1/20 0.37
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 1/20 0.35
MMP3 P08254 1/20 0.35
BCL2L1 Q07817 1/20 0.35
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL532970 0.83 ALDH1A1 (0.67) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL532969 0.83 ALDH1A1 (0.67) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL852224 0.83 ALDH1A1 (0.67) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL8980173 0.79 ALDH1A1 (0.61) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL8440556 0.79 ALDH1A1 (0.61) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL31290735 0.79 ALDH1A1 (0.61) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL14401541 0.79 ALDH1A1 (0.44) ALDH1A1PDE4BMAPK1RAB9ANPC1
SCHEMBL7023222 0.75 ALDH1A1 (0.40) ALDH1A1PDE4BMAPK1RAB9ANPC1
Biphenyl SCHEMBL36559 0.71 ALDH1A1 (0.90) ALDH1A1MAPK1RAB9ANPC1CYP1A2
Biphenyl SCHEMBL1157981 0.71 ALDH1A1 (0.90) ALDH1A1MAPK1RAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214762-B1 REACTION OF METAL FULVENE COMPLEX AND UNSATURATED COMPOUND INSERTION COMPLEXES AND THE USE THEREOF AS CATALYSTS FOR THE POLYMERIZATION OF OLEFINS AND/OR DIENES AND AS HYDROGENATION CATALYSTS. BAYER AKTIENGESELLSCHAFT (DE) 2001-04-10 US claimed
CN-1245806-A Catalyst based on metal fulvene compounding ingredient BAYER AG (DE) 2000-03-01 CN claimed
EP-0980872-A2 Catalysts based upon fulvene-metal complexes Bayer Aktiengesellschaft (DE) 2000-02-23 EP claimed
US-9079768-B2 Dehydrogenation of ammonia-borane by bifunctional catalysts UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-07-14 US disclosed
US-20120201744-A1 Dehydrogenation of Ammonia-Borane by Bifunctional Catalysts UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-08-09 US disclosed
EP-1185541-B1 CATALYST SYSTEM ON THE BASIS OF FULVENE COMPOUNDS BAYER AG (DE) 2003-01-15 EP disclosed
US-6403735-B1 REACTING TRANSITION METAL COMPOUND WITH FULVENE COMPOUND IN PRESENCE OF REDUCING AGENT BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
EP-1185541-A1 CATALYST SYSTEM ON THE BASIS OF FULVEN COMPOUNDS Bayer Aktiengesellschaft (DE) 2002-03-13 EP disclosed
US-20020010084-A1 Method for producting fulvene metal complexes BECKE SIGURD (DE) 2002-01-24 US disclosed
US-6258744-B1 OLEFIN POLYMERIZATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-07-10 US disclosed
US-6214762-B1 REACTION OF METAL FULVENE COMPLEX AND UNSATURATED COMPOUND INSERTION COMPLEXES AND THE USE THEREOF AS CATALYSTS FOR THE POLYMERIZATION OF OLEFINS AND/OR DIENES AND AS HYDROGENATION CATALYSTS. BAYER AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
CN-1278265-A Process for preparing fulvene metal complexes BAYER AG (DE) 2000-12-27 CN disclosed
WO-2000073315-A1 CATALYST SYSTEM ON THE BASIS OF FULVEN COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed
EP-1028968-A1 METHOD FOR PRODUCING FULVENE METAL COMPLEXES BAYER AG (DE) 2000-08-23 EP disclosed
CN-1246486-A Catalyst system based on fulvene metal compound BAYER AG (DE) 2000-03-08 CN disclosed
EP-0982319-A2 Catalyst system based on fulvene-cyclopentadienyl-metal complexes Bayer Aktiengesellschaft (DE) 2000-03-01 EP disclosed
CN-1245806-A Catalyst based on metal fulvene compounding ingredient BAYER AG (DE) 2000-03-01 CN disclosed
EP-0980872-A2 Catalysts based upon fulvene-metal complexes Bayer Aktiengesellschaft (DE) 2000-02-23 EP disclosed
WO-1999024445-A1 METHOD FOR PRODUCING FULVENE METAL COMPLEXES BAYER AKTIENGESELLSCHAFT (DE) 1999-05-20 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 (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-20120201744-A1 Dehydrogenation of Ammonia-Borane by Bifunctional Catalysts IDH2, IDH1, IDH3A ALDH1A1 1785/4885PDE4B 4770/4885MAPK1 4060/4885

“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.