SCHEMBL2235673

SCHEMBL2235673

CCC1(O)c2ccccc2-c2c1cc(O)c1cc(OC)c(N3CCN(c4ccccc4)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.37
DRD2 P14416 4/20 0.36
HRH1 P35367 4/20 0.36
MAPT P10636 4/20 0.36
ACHE P22303 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
HRH2 P25021 2/20 0.36
BACE1 P56817 1/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
LMNA P02545 3/20 0.35
PARP1 P09874 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1093229 0.91 ALDH1A1 (0.41) DRD2HRH1MAPTDRD4DRD3
SCHEMBL2021919 0.86 MAPT (0.38) NPY1RDRD2HRH1MAPTACHE
SCHEMBL1531822 0.84 KMT2A (0.41) PARP1MEN1KMT2AGAA
SCHEMBL3924406 0.82 ALDH1A1 (0.39) DRD2HRH1MAPTACHEDRD4
SCHEMBL26629591 0.80 ALDH1A1 (0.41) DRD2HRH1MAPTDRD4DRD3
SCHEMBL13868659 0.78 PARP1 (0.36) MAPTBACE1PARP1KMT2AGAA
SCHEMBL164608 0.77 TSHR (0.41) DRD2HRH1ACHEDRD4DRD3
SCHEMBL1813140 0.76 PTPN1 (0.37) DRD2HRH1MAPTACHEDRD4
SCHEMBL25836761 0.74 ALDH1A1 (0.40) DRD2HRH1MAPTDRD4DRD3
SCHEMBL1010514 0.74 PDK2 (0.35) MAPTLMNAPARP1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639058-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2020-10-21 EP disclosed
CN-105838349-B photochromic compounds 光学转变公司 2019-12-06 CN disclosed
EP-2357217-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 EP disclosed
EP-2357217-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2018-10-31 EP disclosed
EP-2360224-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2018-10-17 EP disclosed
EP-2360224-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-24 EP disclosed
EP-2357217-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-17 EP disclosed
US-7582749-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2009-09-01 US disclosed
US-7579022-B2 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL, INC. (US) 2009-08-25 US disclosed
US-7560124-B2 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL, INC. (US) 2009-07-14 US disclosed
US-7557206-B2 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL, INC. (US) 2008-04-24 US disclosed
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL, INC. (US) 2008-04-24 US disclosed
US-7342112-B2 Photochromic compounds PPG INDUSTRIES OHIO, INC. (US) 2008-03-11 US disclosed
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL ,INC. (US) 2008-02-28 US disclosed
US-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2008-02-21 US disclosed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 EP disclosed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 WO disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 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 (5 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-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method CCND3, CCND1, CCND2 NPY1R 885/4885DRD2 1141/4885HRH1 3139/4885
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 NPY1R 535/4885DRD2 1350/4885HRH1 3152/4885
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 NPY1R 1234/4885DRD2 1452/4885HRH1 3828/4885
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 NPY1R 535/4885DRD2 1350/4885HRH1 3152/4885
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 NPY1R 1234/4885DRD2 1452/4885HRH1 3828/4885

“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.