SCHEMBL25413865

SCHEMBL25413865

C#CCN(CC#C)c1ccc2c(=O)cc(C(C)(C)C)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 4/20 0.60
▸ ALOX15 P16050 2/20 0.46
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ GLA P06280 4/20 0.39
▸ ATM Q13315 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ CASP7 P55210 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39

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
SCHEMBL8493141 0.84 ALDH1A1 (0.56) IGLV6-57ALOX15EPHX2ALDH1A1GLA
SCHEMBL25411899 0.80 ALOX15 (0.46) IGLV6-57ALOX15EPHX2ALDH1A1GLA
SCHEMBL3844782 0.79 ALOX15 (0.54) IGLV6-57ALOX15EPHX2ALDH1A1GLA
SCHEMBL22501632 0.75 IGLV6-57 (1.00) IGLV6-57ALDH1A1GLAATMCYP3A4
SCHEMBL25412346 0.70 ALOX15 (0.57) ALOX15EPHX2ALDH1A1GLAATM
SCHEMBL8493156 0.70 ALOX15 (0.66) ALOX15ALDH1A1GLACYP3A4HPGD
SCHEMBL25413863 0.70 ALOX15 (0.41) ALOX15EPHX2ALDH1A1HPGDCASP1
SCHEMBL22501624 0.69 IGLV6-57 (1.00) IGLV6-57ALDH1A1GLAATMCYP3A4
SCHEMBL9557107 0.69 ALDH1A1 (0.50) IGLV6-57ALOX15ALDH1A1GLAATM
SCHEMBL12867892 0.68 ALOX15 (0.57) ALOX15ALDH1A1GLACYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304545-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-10-02 — — US disclosed
EP-4476214-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-18 — — EP disclosed
WO-2023150776-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-10 — — WO disclosed
WO-2023150776-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-10 — — 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 (1 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-20250304545-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES PWWP2B, WDR82, FOLR1 IGLV6-57 4166/4885ALOX15 3701/4885EPHX2 3796/4885

“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.

Send feedback