SCHEMBL302398

SCHEMBL302398

COC(=O)c1ccc(-c2cccc(C=O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
ERN1 O75460 5/20 0.47
ALDH1A3 P47895 2/20 0.46
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A2 O94788 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL20339278 0.81 RARA (0.49) ALDH1A1ERN1KDM4ENPC1RAB9A
SCHEMBL13680471 0.80 TDP1 (0.50) ALDH1A1ALDH1A3KDM4EHPGDMAPT
SCHEMBL15709459 0.79 ERN1 (0.47) ALDH1A1ERN1KDM4EHPGDSMN1; SMN2
SCHEMBL4000335 0.79 L3MBTL1 (0.51) ALDH1A1ALDH1A3KDM4EHPGDMAPT
SCHEMBL28928896 0.79 ASIC3 (0.51) ALDH1A1ALDH1A3KDM4EHPGDMAPT
SCHEMBL17239418 0.79 LMNA (0.44) ALDH1A1ERN1KDM4EMAPTNPC1
SCHEMBL13680828 0.77 ALDH1A1 (0.42) ALDH1A1ERN1ALDH1A3KDM4EHPGD
SCHEMBL2321964 0.76 SMN1; SMN2 (0.41) ALDH1A1ALDH1A3KDM4EHPGDMAPT
SCHEMBL805864 0.76 MAPT (0.64) ALDH1A1ERN1HPGDMAPTNPC1
SCHEMBL20493592 0.76 KMT2A (0.50) ALDH1A1KDM4EHPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500859-A 2012-01-12 JP claimed
US-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2011-06-23 US claimed
EP-2318100-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS Firmenich S.A. (CH) 2011-05-11 EP claimed
WO-2010020954-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2010-02-25 WO claimed
US-12379315-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP MDX LLC (US) 2025-08-05 US disclosed
US-20220119424-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITechGroup MDX, LLC (US) 2022-04-21 US disclosed
US-11242554-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP, INC. (US) 2022-02-08 US disclosed
US-20200299755-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP, INC. (US) 2020-09-24 US disclosed
US-10738346-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP, INC. (US) 2020-08-11 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
WO-2018162986-A2 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP B.V. (NL) 2018-09-13 WO disclosed
US-20180258471-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP B.V. (NL) 2018-09-13 US disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 WO disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 WO disclosed
US-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2011-06-23 US disclosed
EP-2318100-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS Firmenich S.A. (CH) 2011-05-11 EP disclosed
WO-2010020954-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2010-02-25 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 (8 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-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS ADH5, ADH1C, ADH1A ALDH1A1 16/4885ERN1 4802/4885ALDH1A3 42/4885
US-20220119424-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES DNTT, NME2, DUT ALDH1A1 640/4885ERN1 1805/4885ALDH1A3 690/4885
US-20200299755-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES DNTT, NME2, DUT ALDH1A1 640/4885ERN1 1805/4885ALDH1A3 690/4885
US-10738346-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes DNTT, NME2, DUT ALDH1A1 640/4885ERN1 1805/4885ALDH1A3 690/4885
US-11242554-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes DNTT, NME2, DUT ALDH1A1 640/4885ERN1 1805/4885ALDH1A3 690/4885
US-12379315-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes DNTT, NME2, DUT ALDH1A1 640/4885ERN1 1805/4885ALDH1A3 690/4885
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 ALDH1A1 1447/4885ERN1 4169/4885ALDH1A3 3737/4885
US-20180258471-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES DNTT, NME2, DUT ALDH1A1 640/4885ERN1 1805/4885ALDH1A3 690/4885

“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.