SCHEMBL20527906

SCHEMBL20527906

COc1cc2c3c(c4c(c2cc1O)-c1ccccc1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCN(c4ccccc4OC)CC2)cc1)O3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
HRH1 P35367 4/20 0.36
DRD3 P35462 4/20 0.36
HRH2 P25021 3/20 0.36
GAA P10253 5/20 0.35
MAPT P10636 4/20 0.35
ADRA1A P35348 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 2/20 0.33
ADRA1D P25100 2/20 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
SCHEMBL2201504 0.93 FGFR1 (0.31)
SCHEMBL2470883 0.90 DRD2 (0.39) DRD2DRD4HRH1DRD3HRH2
SCHEMBL2018673 0.90 DRD2 (0.32) DRD2DRD4HRH1DRD3HRH2
SCHEMBL1965737 0.89 ADRA1A (0.35) DRD2DRD4HRH1DRD3HRH2
SCHEMBL2200006 0.89 ACHE (0.35) DRD2HRH1MAPTTSHRADRA2B
SCHEMBL2200403 0.89 GAA (0.32) GAAMAPTSMN1; SMN2
SCHEMBL2470994 0.88 DRD2 (0.33) DRD2DRD4HRH1DRD3HRH2
SCHEMBL2023151 0.87 DRD2 (0.31) DRD2DRD4HRH1DRD3HRH2
SCHEMBL1963472 0.87 DRD2 (0.35) DRD2DRD4HRH1DRD3HRH2
SCHEMBL11995963 0.87 PIK3CA (0.35) DRD2DRD4HRH1DRD3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999908-B2 Method for making photochromic contact lenses ALCON INC. (CH) 2024-06-04 US claimed
US-11945895-B2 Photochromic polydiorganosiloxane vinylic crosslinkers ALCON INC. (CH) 2024-04-02 US claimed
US-11833771-B2 Method for making photochromic contact lenses ALCON INC. (CH) 2023-12-05 US claimed
US-20210284806-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC. (CH) 2021-09-16 US claimed
US-20210284778-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC (CH) 2021-09-16 US claimed
US-11945181-B2 Method for making photochromic contact lenses ALCON INC. (CH) 2024-04-02 US disclosed
US-11945895-B2 Photochromic polydiorganosiloxane vinylic crosslinkers ALCON INC. (CH) 2024-04-02 US disclosed
US-11833771-B2 Method for making photochromic contact lenses ALCON INC. (CH) 2023-12-05 US disclosed
US-20220126541-A1 METHOD FOR MAKING PHOTOCHROMIC CONTACT LENSES ALCON INC. (CH) 2022-04-28 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
US-20180291009-A1 Photochromic Compounds TRANSITIONS OPTICAL, INC. 2018-10-11 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-20180291009-A1 Photochromic Compounds CCR4, CCR8, CBR3 DRD2 182/4885DRD4 91/4885HRH1 2070/4885

“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.