SCHEMBL2969178

SCHEMBL2969178

[c]1c2c(cc(-c3ccco3)c1-c1ccco1)-c1ccccc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
TDP2 O95551 2/20 0.35
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 3/20 0.34
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
USP2 O75604 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASP1 P29466 2/20 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
SCHEMBL2964503 0.77 CASP1 (0.37) ALDH1A1HPGDSMN1; SMN2MAPK1NPC1
SCHEMBL2975198 0.74 MAOB (0.46) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL2970089 0.71 ADRA1D (0.33)
SCHEMBL16411260 0.71 TDP2 (0.31) TDP2
SCHEMBL1539776 0.71 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2966371 0.69 KDM4E (0.34) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2964204 0.68 KDM4E (0.33) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2970269 0.68
SCHEMBL6552137 0.67 HTR7 (0.35) ALDH1A1HPGDSMN1; SMN2MAPK1NPC1
SCHEMBL2963839 0.66 KDR (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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 (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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL ALDH1A1 4206/4885HPGD 4608/4885SMN1; SMN2 4049/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ALDH1A1 4332/4885HPGD 4720/4885SMN1; SMN2 4156/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 ALDH1A1 4248/4885HPGD 4016/4885SMN1; SMN2 4055/4885

“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.