SCHEMBL2470994

SCHEMBL2470994

COc1cc2c3c(c4c(c2cc1C#CC(C)(C)O)-c1ccccc1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCN(c4ccccc4OC)CC2)cc1)O3

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.33
DRD4 P21917 5/20 0.33
DRD3 P35462 5/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2470883 0.89 DRD2 (0.39) DRD2DRD4DRD3HRH2HRH1
SCHEMBL20527906 0.88 DRD2 (0.36) DRD2DRD4DRD3HRH2HRH1
SCHEMBL1965737 0.86 ADRA1A (0.35) DRD2DRD4DRD3HRH2HRH1
SCHEMBL2018673 0.85 DRD2 (0.32) DRD2DRD4DRD3HRH2HRH1
SCHEMBL2200006 0.85 ACHE (0.35) DRD2HRH1TSHRADRA2BALDH1A1
SCHEMBL1963472 0.84 DRD2 (0.35) DRD2DRD4DRD3HRH2HRH1
SCHEMBL2200403 0.83 GAA (0.32) GAA
SCHEMBL2023151 0.83 DRD2 (0.31) DRD2DRD4DRD3HRH2HRH1
SCHEMBL25605060 0.82 PIK3CA (0.35) DRD2DRD4DRD3HRH2HRH1
SCHEMBL11995963 0.82 PIK3CA (0.35) DRD2DRD4DRD3HRH2HRH1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945895-B2 Photochromic polydiorganosiloxane vinylic crosslinkers ALCON INC. (CH) 2024-04-02 US claimed
EP-4118134-B1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC (CH) 2024-02-28 EP claimed
US-20210284778-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC (CH) 2021-09-16 US claimed
US-20210284806-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC. (CH) 2021-09-16 US claimed
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 EP claimed
EP-2370420-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-05-22 EP claimed
US-8211338-B2 Photochromic compounds TRANSITIONS OPTICAL, INC (US) 2012-07-03 US claimed
EP-2370420-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-10-05 EP claimed
WO-2010065393-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-06-10 WO claimed
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-17 US claimed
US-11945895-B2 Photochromic polydiorganosiloxane vinylic crosslinkers ALCON INC. (CH) 2024-04-02 US disclosed
US-20210284806-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC. (CH) 2021-09-16 US disclosed
US-20210284778-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC (CH) 2021-09-16 US disclosed
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 EP disclosed
EP-2370420-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-05-22 EP disclosed
US-20120200907-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-08-09 US disclosed
US-8211338-B2 Photochromic compounds TRANSITIONS OPTICAL, INC (US) 2012-07-03 US disclosed
EP-2370420-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-10-05 EP disclosed
WO-2010065393-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-06-10 WO disclosed
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-17 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 (2 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-20120200907-A1 PHOTOCHROMIC COMPOUNDS CCR4, CCR8, CBR3 DRD2 166/4885DRD4 88/4885DRD3 101/4885
US-20090309076-A1 PHOTOCHROMIC COMPOUNDS CCR4, CCR8, CBR3 DRD2 172/4885DRD4 91/4885DRD3 99/4885

“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.