SCHEMBL5712489

SCHEMBL5712489

C=CCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.33
TLR8 Q9NR97 1/20 0.33
LMNA P02545 1/20 0.32
IDH1 O75874 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL10960748 0.92 TDP1 (0.40) ALDH1A1L3MBTL1TDP1USP2HPGD
SCHEMBL4749847 0.87 CYP3A4 (0.36) ALDH1A1TDP1CYP3A4IDH1TSHR
SCHEMBL14233383 0.79 MAOB (0.37) ALDH1A1TDP1USP2HPGD
SCHEMBL29179 0.79 CYP3A4 (0.45) ALDH1A1TDP1CYP3A4
SCHEMBL35092 0.79 CYP3A4 (0.45) ALDH1A1TDP1CYP3A4
SCHEMBL3680017 0.79 CYP3A4 (0.33) TDP1CYP3A4
SCHEMBL6054756 0.79 CYP3A4 (0.33) TDP1CYP3A4
SCHEMBL11550852 0.79 HIF1A (0.36) ALDH1A1TDP1CYP3A4TSHR
Allylamine SCHEMBL11350886 0.79 MAOA (0.35) ALDH1A1TDP1CYP3A4
SCHEMBL4255002 0.77 CYP3A4 (0.43) TDP1CYP3A4

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
WO-2022212124-A1 PHOSPHONIUM-BORANE CATALYST COMPLEXES AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-10-06 WO disclosed
WO-2022212124-A1 PHOSPHONIUM-BORANE CATALYST COMPLEXES AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-10-06 WO disclosed
EP-1735352-B1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CALIFORNIA INST OF TECHN (US) 2019-08-21 EP disclosed
US-9238709-B2 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand MATERIA, INC. (US) 2016-01-19 US disclosed
US-20150141603-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-8871879-B2 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand MATERIA, INC. (US) 2014-10-28 US disclosed
US-20130296511-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
US-20130064843-A1 Identification of conserved peptide blocks in homologous polypeptides DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-14 US disclosed
CN-101090915-A Latent, high-activity olefin metathesis catalysts containing an n-heterocyclic carbene ligand CALIFORNIA INST OF TECHN (US) 2007-12-19 CN disclosed
EP-1735352-A2 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-12-27 EP disclosed
US-20050261451-A1 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-11-24 US disclosed
WO-2005094345-A2 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-10-13 WO disclosed
EP-0623149-A4 POLYMERIZATION OF FUNCTIONALIZED MONOMERS WITH ZIEGLER-NATTA CATALYSTS. UNIV LELAND STANFORD JUNIOR (US) 1995-09-27 EP disclosed
EP-0623149-A4 POLYMERIZATION OF FUNCTIONALIZED MONOMERS WITH ZIEGLER-NATTA CATALYSTS. UNIV LELAND STANFORD JUNIOR (US) 1995-09-27 EP disclosed
EP-0623149-A1 POLYMERIZATION OF FUNCTIONALIZED MONOMERS WITH ZIEGLER-NATTA CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-11-09 EP disclosed
EP-0623149-A1 POLYMERIZATION OF FUNCTIONALIZED MONOMERS WITH ZIEGLER-NATTA CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-11-09 EP disclosed
WO-1994012547-A3 POLYMERIZATION OF FUNCTIONALIZED MONOMERS WITH ZIEGLER-NATTA CATALYSTS UNIV LELAND STANFORD JUNIOR (US) 1994-07-21 WO disclosed
WO-1994012547-A2 POLYMERIZATION OF FUNCTIONALIZED MONOMERS WITH ZIEGLER-NATTA CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-06-09 WO disclosed
WO-1994012547-A2 POLYMERIZATION OF FUNCTIONALIZED MONOMERS WITH ZIEGLER-NATTA CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-06-09 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-20050261451-A1 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand CDK8, LTC4S, ZCCHC8 ALDH1A1 1944/4885L3MBTL1 782/4885TDP1 3370/4885
US-20130296511-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 ALDH1A1 1944/4885L3MBTL1 782/4885TDP1 3370/4885
US-20150141603-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 ALDH1A1 1944/4885L3MBTL1 782/4885TDP1 3370/4885

“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.