SCHEMBL5712499

SCHEMBL5712499

C=CCC(C)(C)C=Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS1 P23219 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
SCHEMBL5712498 1.00 MAPT (0.40) MAPTALDH1A1TSHRHTTATM
SCHEMBL8665536 0.80 ALDH1A1 (0.46) MAPTALDH1A1TSHRHTTATM
SCHEMBL9845929 0.75 ATM (0.39) MAPTALDH1A1TSHRHTTATM
SCHEMBL18650110 0.73 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10193490 0.69 ALDH1A1 (0.32) MAPTALDH1A1CYP2C9MEN1KMT2A
SCHEMBL17916180 0.68 ALDH1A1 (0.36) MAPTALDH1A1CYP2C9MEN1KMT2A
SCHEMBL7775723 0.68 ALDH1A1 (0.41) MAPTALDH1A1TSHRHTTATM
SCHEMBL3803101 0.67 ALDH1A1 (0.38) MAPTALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL10122037 0.67 ALDH1A1 (0.38) MAPTALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL3803095 0.67 ALDH1A1 (0.38) MAPTALDH1A1TSHRCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPT 3653/4885ALDH1A1 1944/4885TSHR 4609/4885
US-20130296511-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 MAPT 3653/4885ALDH1A1 1944/4885TSHR 4609/4885
US-20150141603-A1 LATENT, HIGH-ACTIVITY OLEFIN METATHESIS CATALYSTS CONTAINING AN N-HETEROCYCLIC CARBENE LIGAND CDK8, LTC4S, ZCCHC8 MAPT 3653/4885ALDH1A1 1944/4885TSHR 4609/4885

“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.