SCHEMBL3701138

SCHEMBL3701138

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5ccc(OC)cc5c3O2)-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2C4(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CASR P41180 1/20 0.31
MGAM O43451 1/20 0.31

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
SCHEMBL25607021 0.94 LMNA (0.34) ALDH1A1KDM4EHPGDMEN1LMNA
SCHEMBL31337370 0.93 ALDH1A1 (0.35) PDK2ALDH1A1HPGDMGAMGAA
SCHEMBL1186910 0.93 ALDH1A1 (0.35) PDK2ALDH1A1HPGDMGAMGAA
SCHEMBL3702510 0.91 KDM4E (0.34) ALDH1A1KDM4EMEN1LMNACYP2C9
SCHEMBL25607020 0.91 TP53 (0.35) PDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL25844764 0.90 ALKBH3 (0.33) ALDH1A1MAOBKDM4EHPGDMEN1
SCHEMBL25601790 0.89 NR1H4 (0.34) PDK2ALDH1A1KDM4EHPGDLMNA
SCHEMBL25601793 0.89 NR1H4 (0.34) PDK2ALDH1A1KDM4EHPGDLMNA
SCHEMBL25607018 0.89 TP53 (0.36) PDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL25607194 0.89 KDM4E (0.33) PDK2ALDH1A1KDM4EHPGDMEN1

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
EP-4269532-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES Hoya Lens Thailand Ltd. (TH) 2023-11-01 EP 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
EP-4198583-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES Hoya Lens Thailand Ltd. (TH) 2023-06-21 EP disclosed
EP-4198102-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND EYEGLASSES Hoya Lens Thailand Ltd. (TH) 2023-06-21 EP disclosed
US-8545015-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20120120473-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-05-17 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 PDK2 2722/4885ALDH1A1 1091/4885MAOB 3868/4885

“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.