SCHEMBL14661925

SCHEMBL14661925

CCOCc1ccc(C)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
CASP1 P29466 1/20 0.43
CYP3A4 P08684 3/20 0.41
SKP2 Q13309 1/20 0.38
MAPT P10636 2/20 0.37
PARP1 P09874 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL13638978 0.85 SKP2 (0.55) ALDH1A1TDP1CYP3A4SKP2MAPT
SCHEMBL8750664 0.82 NPC1 (0.36) ALDH1A1CYP3A4SKP2MAPTNPC1
SCHEMBL11699485 0.80 ALDH1A1 (0.46) ALDH1A1TDP1CASP1CYP3A4SKP2
SCHEMBL5005675 0.77 TDP1 (0.52) ALDH1A1TDP1CASP1CYP3A4SKP2
SCHEMBL8251529 0.77 DAO (0.43) NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13696429 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTGAATSHR
Ether SCHEMBL28280732 0.76 CASP1 (0.71) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL11970164 0.76 GAA (0.57) ALDH1A1CYP3A4MAPTGAATSHR
SCHEMBL19240330 0.76 ALDH1A1 (0.42) ALDH1A1TDP1CASP1CYP3A4SKP2
SCHEMBL19175110 0.76 ALDH1A1 (0.42) ALDH1A1TDP1CASP1CYP3A4SKP2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253749-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2021-12-08 EP disclosed
EP-3253749-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2021-12-08 EP disclosed
EP-3053920-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2020-04-08 EP disclosed
US-10570122-B2 Compounds with anti-tumoral activity AB SCIENCE (FR) 2020-02-25 US disclosed
US-10570122-B2 Compounds with anti-tumoral activity AB SCIENCE (FR) 2020-02-25 US disclosed
US-20180202388-A1 PISTON FOR AN INTERNAL COMBUSTION ENGINE AND METHOD FOR PRODUCING THE PISTON FOR AN INTERNAL COMBUSTION ENGINE FELT PRODUCTS MFG. CO. LLC 2018-07-19 US disclosed
US-20180202388-A1 PISTON FOR AN INTERNAL COMBUSTION ENGINE AND METHOD FOR PRODUCING THE PISTON FOR AN INTERNAL COMBUSTION ENGINE FELT PRODUCTS MFG. CO. LLC 2018-07-19 US disclosed
US-20180202388-A1 PISTON FOR AN INTERNAL COMBUSTION ENGINE AND METHOD FOR PRODUCING THE PISTON FOR AN INTERNAL COMBUSTION ENGINE FELT PRODUCTS MFG. CO. LLC 2018-07-19 US disclosed
US-20180079747-A1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2018-03-22 US disclosed
US-20180079747-A1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2018-03-22 US disclosed
EP-3053920-A1 Compounds with anti-tumoral activity AB Science (FR) 2016-08-10 EP disclosed
EP-2736904-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2016-03-16 EP disclosed
EP-2736904-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2016-03-16 EP disclosed
US-9168245-B2 Selective protein kinase inhibitors AB SCIENCE (FR) 2015-10-27 US disclosed
US-9168245-B2 Selective protein kinase inhibitors AB SCIENCE (FR) 2015-10-27 US disclosed
US-9168245-B2 Selective protein kinase inhibitors AB SCIENCE (FR) 2015-10-27 US disclosed
US-20140179698-A1 SELECTIVE PROTEIN KINASE INHIBITORS AB SCIENCE (FR) 2014-06-26 US disclosed
EP-2736904-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB Science (FR) 2014-06-04 EP disclosed
WO-2013014170-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2013-01-31 WO disclosed
WO-2013014170-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2013-01-31 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-10570122-B2 Compounds with anti-tumoral activity MKI67, GZMB, RB1 ALDH1A1 311/4885TDP1 2068/4885CASP1 334/4885
US-20180079747-A1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY MKI67, TP53, VHL ALDH1A1 318/4885TDP1 2264/4885CASP1 334/4885
US-20140179698-A1 SELECTIVE PROTEIN KINASE INHIBITORS KIT, MAP3K1, PRKCH ALDH1A1 2869/4885TDP1 1761/4885CASP1 2454/4885

“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.