SCHEMBL17201445

SCHEMBL17201445

CCCNP(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNN4 O15554 1/20 0.35
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
APP P05067 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
SCHEMBL30359275 0.87 ALDH1A1 (0.42) SIGMAR1MAPTHTTL3MBTL1ALDH1A1
SCHEMBL4203004 0.85 CYP3A4 (0.43) SIGMAR1KMT2ACYP3A4TDP1KCNN4
SCHEMBL2155415 0.83 KCNN4 (0.44) SIGMAR1CYP3A4TDP1KCNN4MAPT
Propane SCHEMBL2359635 0.78 CYP3A4 (0.41) SIGMAR1CYP3A4TDP1KCNN4MAPT
SCHEMBL9907211 0.77 POLB (0.41) KMT2ACYP3A4TDP1MTORRAB9A
SCHEMBL7636331 0.77 KIF11 (0.42) KMT2ACYP3A4TDP1MTORRAB9A
SCHEMBL9907231 0.77 TAAR1 (0.42) SIGMAR1KMT2ARAB9APOLBTAAR1
SCHEMBL28580058 0.76 NPC1 (0.50) SIGMAR1CYP3A4MAPTRAB9ALMNA
SCHEMBL321882 0.72 TDP1 (0.50) CYP3A4TDP1MTORRAB9AGRM7
SCHEMBL13836509 0.71 KCNN4 (0.43) SIGMAR1CYP3A4TDP1KCNN4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105238364-B Organic high-temperature heat-conductive liquid 奢派热力科技(上海)有限公司 2018-05-25 CN claimed
CN-105238364-B Organic high-temperature heat-conductive liquid 奢派热力科技(上海)有限公司 2018-05-25 CN disclosed
US-9308528-B2 Nickel-based complexes and their use in a process for the transformation of olefins UNIVERSITEIT VAN AMSTERDAM (NL) 2016-04-12 US disclosed
US-9308528-B2 Nickel-based complexes and their use in a process for the transformation of olefins UNIVERSITEIT VAN AMSTERDAM (NL) 2016-04-12 US disclosed
US-9308528-B2 Nickel-based complexes and their use in a process for the transformation of olefins UNIVERSITEIT VAN AMSTERDAM (NL) 2016-04-12 US disclosed
EP-2939743-A1 NOVEL NICKEL-BASED COMPLEXES AND USE THEREOF IN A METHOD FOR TRANSFORMING OLEFINS IFP Energies nouvelles (FR) 2015-11-04 EP disclosed
EP-2939743-A1 NOVEL NICKEL-BASED COMPLEXES AND USE THEREOF IN A METHOD FOR TRANSFORMING OLEFINS IFP Energies nouvelles (FR) 2015-11-04 EP disclosed
US-20150306589-A1 NOVEL NICKEL-BASED COMPLEXES AND THEIR USE IN A PROCESS FOR THE TRANSFORMATION OF OLEFINS UNIVERSITEIT VAN AMSTERDAM (NL) 2015-10-29 US disclosed
US-20150306589-A1 NOVEL NICKEL-BASED COMPLEXES AND THEIR USE IN A PROCESS FOR THE TRANSFORMATION OF OLEFINS UNIVERSITEIT VAN AMSTERDAM (NL) 2015-10-29 US disclosed
US-20150306589-A1 NOVEL NICKEL-BASED COMPLEXES AND THEIR USE IN A PROCESS FOR THE TRANSFORMATION OF OLEFINS UNIVERSITEIT VAN AMSTERDAM (NL) 2015-10-29 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 (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-20150306589-A1 NOVEL NICKEL-BASED COMPLEXES AND THEIR USE IN A PROCESS FOR THE TRANSFORMATION OF OLEFINS TRRAP, NISCH, PORCN SIGMAR1 3649/4885KMT2A 1866/4885CYP3A4 518/4885

“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.