SCHEMBL820145

SCHEMBL820145

CC1=C(C)N(c2c(C)cc(C)cc2C)CN1c1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAPGEF4 Q8WZA2 5/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
EBP Q15125 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
Hydrochloric Acid SCHEMBL819271 0.98 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL2126293 0.81 ALDH1A1 (0.33) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL760838 0.81 ALDH1A1 (0.33) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL919720 0.78 MEN1 (0.38) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL29127366 0.78 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
Hydrochloric Acid SCHEMBL29127365 0.76 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL21652401 0.76 ALDH1A1 (0.38) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL18122736 0.74 MAPT (0.33) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL16307951 0.74 ALDH1A1 (0.33) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL23894717 0.73 L3MBTL1 (0.37) ALDH1A1MAPTPOLBSMN1; SMN2KDM4E

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
US-11827745-B2 Triblock copolymer and process for preparation thereof LG CHEM, LTD. (KR) 2023-11-28 US disclosed
WO-2023144521-A1 USING HYPERPOLARISED 15N DERIVED SYNTHONS TO CREATE HYPERPHARMACEUTICALS THROUGH SABRE UNIVERSITY OF YORK (GB) 2023-08-03 WO disclosed
US-20230123848-A1 POLYLACTATE STEREOCOMPLEX AND PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2023-04-20 US disclosed
US-20210340314-A1 TRIBLOCK COPOLYMER AND PROCESS FOR PREPARATION THEREOF LG CHEM, LTD. (KR) 2021-11-04 US disclosed
EP-2826802-B1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION ZEON CORP (JP) 2021-03-10 EP disclosed
EP-2574187-B1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME AMYRIS INC (US) 2019-09-11 EP disclosed
US-20180127520-A1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION ZEON CORPORATION (JP) 2018-05-10 US disclosed
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
US-9850325-B2 Method for producing ring-opening metathesis polymer hydride, and resin composition ZEON CORPORATION (JP) 2017-12-26 US disclosed
US-20170044196-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, AND USE OF SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-02-16 US disclosed
US-20150051353-A1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION ZEON CORPORATION (JP) 2015-02-19 US disclosed
EP-2826802-A1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION Zeon Corporation (JP) 2015-01-21 EP disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 US disclosed
WO-2014139747-A1 IN SITU GENERATION OF RUTHENIUM CATALYSTS FOR OLEFIN METATHESIS EVONIK INDUSTRIES AG (DE) 2014-09-18 WO disclosed
EP-2778154-A1 In situ generation of ruthenium catalysts for olefin metathesis Evonik Industries AG (DE) 2014-09-17 EP disclosed
EP-2711351-A1 Low catalyst loading in metathesis reactions Evonik Industries AG (DE) 2014-03-26 EP disclosed
US-8586814-B2 Squalane and isosqualane compositions and methods for preparing the same Amyris, Inc. (US) 2013-11-19 US disclosed
EP-2574187-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris Biotechnologies, Inc. (US) 2013-04-03 EP disclosed
WO-2011146837-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris, Inc. (US) 2011-11-24 WO disclosed
US-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME EUAGORE, LLC 2011-11-24 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-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME SQLE, FDFT1, COASY ALDH1A1 155/4885MAPT 3566/4885NPSR1 3151/4885
US-20170044196-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, AND USE OF SAME ADH1C, PNPO, PNP ALDH1A1 739/4885MAPT 4698/4885NPSR1 1283/4885
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C ALDH1A1 21/4885MAPT 3557/4885NPSR1 2635/4885

“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.