SCHEMBL8103856

SCHEMBL8103856

COc1ccc(C=C(C#N)C#N)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.76
CYP1A2 P05177 4/20 0.65
ALDH1A1 P00352 7/20 0.63
KDM4E B2RXH2 4/20 0.63
MAPT P10636 4/20 0.63
CYP3A4 P08684 3/20 0.63
HPGD P15428 3/20 0.63
NFKB1 P19838 3/20 0.63
BLM P54132 3/20 0.63
PMP22 Q01453 3/20 0.63
MEN1 O00255 3/20 0.63
LMNA P02545 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HIF1A Q16665 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
CYP2C9 P11712 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
RGS12 O14924 1/20 0.63

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
SCHEMBL2761526 0.88 EGFR (0.64) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL13936251 0.88 EGFR (0.64) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL8743696 0.86 EGFR (1.00) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL10615624 0.85 EGFR (0.61) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL23956815 0.84 CYP1A2 (0.63) EGFRCYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL22259727 0.84 EGFR (0.59) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL27441151 0.83 EGFR (0.58) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL12955890 0.82 EGFR (0.61) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL13955019 0.82 EGFR (0.66) EGFRCYP1A2ALDH1A1KDM4EMAPT
SCHEMBL11522948 0.82 EGFR (0.66) EGFRCYP1A2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377194-B2 JAB1 inhibitory compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2025-08-05 US disclosed
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 US disclosed
US-11325901-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-05-10 US disclosed
US-20220023506-A1 JAB1 Inhibitory Compositions for Ossification and Methods Related Thereto EMORY UNIVERSITY 2022-01-27 US disclosed
US-11220497-B2 2022-01-11 US disclosed
US-20210376381-A1 ADDITIVES FOR ELECTROLYTES IN Li-IONS BATTERIES HYDRO-QUéBEC (CA) 2021-12-02 US disclosed
US-11179500-B2 JAB1 inhibitory compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2021-11-23 US disclosed
US-20210305555-A1 ADDITIVES FOR ELECTROLYTE AND CATHODE MATERIAL IN Li-ION BATTERIES COMPRISING METAL-BASED CATHODE MATERIAL WHICH PRODUCES M2+ METAL IONS HYDRO-QUéBEC (CA) 2021-09-30 US disclosed
US-20200231583-A1 Prostaglandin E Synthase Inhibitors and Methods for Utilizing the Same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-07-23 US disclosed
WO-2020069619-A1 ADDITIVES FOR ELECTROLYTES IN LI-ION BATTERIES HYDRO-QUéBEC (CA) 2020-04-09 WO disclosed
US-20130344165-A1 JAB1 INHIBITORY COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-12-26 US disclosed
WO-2012116137-A2 JAB1 BLOCKING COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-08-30 WO disclosed
US-7491486-B2 Optical information recording medium FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed
US-7491486-B2 Optical information recording medium FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed
EP-1004584-A2 Pyranoquinoline derivatives as inhibitors of cell proliferation ELI LILLY AND COMPANY LIMITED (GB) 2000-05-31 EP disclosed
US-5434160-A Autoimmune diseases; prevention of excess cell proliferation or enzyme release LILLY INDUSTRIES LIMITED (GB) 1995-07-18 US disclosed
EP-0599514-A2 Pyranoquinoline derivatives as inhibitors of cell proliferation LILLY INDUSTRIES LIMITED (GB) 1994-06-01 EP 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 (5 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-11325901-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 EGFR 4261/4885CYP1A2 46/4885ALDH1A1 474/4885
US-11220497-B2 PTGES, PTGS1, PTGES2 EGFR 4553/4885CYP1A2 39/4885ALDH1A1 551/4885
US-20200231583-A1 Prostaglandin E Synthase Inhibitors and Methods for Utilizing the Same PTGES, PTGS1, PTGES2 EGFR 4261/4885CYP1A2 46/4885ALDH1A1 474/4885
US-20210376381-A1 ADDITIVES FOR ELECTROLYTES IN Li-IONS BATTERIES NDUFB9, SLC26A4, SLC9B2 EGFR 3337/4885CYP1A2 1195/4885ALDH1A1 638/4885
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 EGFR 4261/4885CYP1A2 46/4885ALDH1A1 474/4885

“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.