SCHEMBL20510892

SCHEMBL20510892

C=CCc1ccc(Oc2cccc(C#N)c2C#N)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
PPARA Q07869 2/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
PTGS1 P23219 2/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX5 P09917 1/20 0.46
AR P10275 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL30360756 1.00 ALDH1A1 (0.56) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL30360752 0.87 ALDH1A1 (0.43) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL20511125 0.87 ALDH1A1 (0.43) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL1870530 0.80 ALDH1A1 (0.86) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL18914628 0.79 ALDH1A1 (0.45) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL20510893 0.79 ALDH1A1 (0.60) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL286443 0.78 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL28408790 0.77 POLB (0.51) ALDH1A1MAPTSMN1; SMN2LMNAGAA
Methyleugenol SCHEMBL5564539 0.76 ALDH1A1 (0.96) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL20510894 0.76 KDM4E (0.40) ALDH1A1SMN1; SMN2LMNAGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107400359-B Phthalonitrile, benzoxazine and tetra-amino phthalocyanine lead-based anti-radiation composite material and preparation method thereof 哈尔滨工程大学 2020-06-16 CN claimed
CN-110461814-B Resin blends, prepregs and articles containing a phthalonitrile reactive diluent and a bisphthalonitrile resin 3M创新有限公司 2023-04-14 CN disclosed
US-11292891-B2 Resin blends containing a phthalonitrile reactive diluent and a diphthalonitrile resin, prepregs, and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-04-05 US disclosed
CN-107400359-B Phthalonitrile, benzoxazine and tetra-amino phthalocyanine lead-based anti-radiation composite material and preparation method thereof 哈尔滨工程大学 2020-06-16 CN disclosed
US-20200131336-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-04-30 US disclosed
EP-3601215-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M Innovative Properties Company (US) 2020-02-05 EP disclosed
WO-2018175025-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-09-27 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 (2 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-20200131336-A1 RESIN BLENDS CONTAINING A PHTHALONITRILE REACTIVE DILUENT AND A DIPHTHALONITRILE RESIN, PREPREGS, AND ARTICLES PNN, RPN1, DCXR ALDH1A1 720/4885PPARA 3063/4885PPARG 4446/4885
US-11292891-B2 Resin blends containing a phthalonitrile reactive diluent and a diphthalonitrile resin, prepregs, and articles PNN, RPN1, DCXR ALDH1A1 720/4885PPARA 3063/4885PPARG 4446/4885

“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.