SCHEMBL5141801

SCHEMBL5141801

C=CC(CC)(CC)OC(=O)CC(=O)OC(C=C)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 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
SCHEMBL5141802 0.90 ALOX15 (0.31)
SCHEMBL21847370 0.87 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL21847341 0.80 GAA (0.37) GAAALDH1A1TSHRTHRBLMNA
SCHEMBL27752748 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL27634434 0.79 CYP2D6 (0.32) TSHRLMNA
SCHEMBL2961856 0.73 MGAM (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21858450 0.72 TSHR (0.33) TSHRTHRB
SCHEMBL28156278 0.72 HCAR2 (0.47) ALDH1A1TSHRTHRB
SCHEMBL27726505 0.71 HPGD (0.31) TSHR
SCHEMBL10556760 0.69 ALOX15 (0.31) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086473-B2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montedison S.p.A. (IT) 1992-11-11 EP claimed
JP-63208597-A None JP 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
EP-1391476-B1 PHOTOREACTIVE COMPOSITION SEKISUI CHEMICAL CO LTD (JP) 2015-12-09 EP 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-7312013-B2 Photoreactive composition SEKISUI CHEMICAL CO., LTD. (JP) 2007-12-25 US 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
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO 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
US-20040202956-A1 a photocurable mixture of a hydrolyzable metal (silyl) compound and a reaction, polymerization or crosslinking promoter; curing; adhesives, seals, semiconductors, dielectrics, microlenses, optical fibers, color filters, gas permeable films SEKISUI CHEMICAL CO., LTD. (JP) 2004-10-14 US disclosed
EP-1391476-A1 PHOTOREACTIVE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2004-02-25 EP disclosed
US-4904628-A Components and catalysts for the polymerization of olefins MONTEDISON S.P.A. (IT) 1990-02-27 US disclosed
JP-S63208597-A DICHLORO-2-ALKYL-1, 3-DIAMINOPROPANE PLATINUM(II) TAISHO PHARMACEUT CO LTD 1988-08-30 JP disclosed
US-4522930-A REACTION PRODUCT OF METALOORGANIC COMPOUND OF ALUMINUM, ELECTRON-DONOR COMPOUND REACTIVE WITH MAGNESIUM CHLORIDE AND A SOLID HALOGENATED TITANIUM COMPOUND MONTEDISON S.P.A. (IT) 1985-06-11 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-20050261451-A1 Latent, high-activity olefin metathesis catalysts containing an N-heterocyclic carbene ligand CDK8, LTC4S, ZCCHC8 MGAM 1298/4885GAA 3970/4885SI 3028/4885
US-20130296511-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 MGAM 1298/4885GAA 3970/4885SI 3028/4885
US-20150141603-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 MGAM 1298/4885GAA 3970/4885SI 3028/4885

“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.