SCHEMBL25844763

SCHEMBL25844763

COc1ccc2c3c(c4c(c2c1)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C4)C(C)(C)c1cc(-c2ccccc2)ccc1-3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 5/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
PRKDC P78527 1/20 0.34
MAPK1 P28482 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
AKT1 P31749 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAPT P10636 5/20 0.33

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
SCHEMBL25607198 0.99 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL25607195 0.98 PRKDC (0.36) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL25607200 0.98 PRKDC (0.35) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL25607202 0.96 AKT1 (0.36) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL18102198 0.96 PRKDC (0.36) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL25607201 0.96 AKT1 (0.36) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL25718378 0.94 ALDH1A1 (0.36) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL18102227 0.94 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL9926880 0.93 PRKDC (0.36) ALDH1A1KDM4ETSHRTDP1HSD17B10
SCHEMBL25844759 0.93 AKT1 (0.33) ALDH1A1KDM4ETSHRHSD17B10PRKDC

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-20230340318-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES HOYA LENS THAILAND LTD. (TH) 2023-10-26 US disclosed
US-20230340318-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES HOYA LENS THAILAND LTD. (TH) 2023-10-26 US disclosed
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 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 (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-20230340318-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES NR2E3, CRY1, RPS10 ALDH1A1 1091/4885KDM4E 3270/4885TSHR 1015/4885

“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.