SCHEMBL1813801

SCHEMBL1813801

C#CC(O)(c1ccc(OCCO)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL25091076 0.95 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2MAPK1USP2
SCHEMBL15947087 0.89 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MAPK1USP2
SCHEMBL27165410 0.89 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2MAPK1USP2
SCHEMBL9898457 0.89 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2MAPK1USP2
SCHEMBL24605264 0.89 HRH3 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL15947085 0.86 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL24404033 0.86 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2MAPK1USP2
SCHEMBL25954140 0.84 KMT2A (0.41) ALDH1A1MAPTSMN1; SMN2MAPK1USP2
SCHEMBL4857099 0.84 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2MAPK1USP2
SCHEMBL24620659 0.84 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1USP2

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
US-11767467-B2 Photochromic compound and curable composition containing said photochromic compound TOKUYAMA CORPORATION (JP) 2023-09-26 US disclosed
US-11767467-B2 Photochromic compound and curable composition containing said photochromic compound TOKUYAMA CORPORATION (JP) 2023-09-26 US disclosed
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
EP-4047030-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND Tokuyama Corporation (JP) 2022-08-24 EP disclosed
US-20220213050-A1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE TOKUYAMA CORPORATION (JP) 2022-07-07 US disclosed
EP-3995493-A1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE Tokuyama Corporation (JP) 2022-05-11 EP disclosed
US-20210292641-A1 PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2021-09-23 US disclosed
US-11066523-B2 Photochromic polyrotaxane compound and curable composition comprising the photochromic polyrotaxane compound TOKUYAMA CORPORATION (JP) 2021-07-20 US disclosed
EP-3825346-A1 PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND Tokuyama Corporation (JP) 2021-05-26 EP disclosed
US-20200190106-A1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2020-06-18 US disclosed
US-20200172681-A1 PHOTOCHROMIC POLYROTAXANE COMPOUND AND CURABLE COMPOSITION COMPRISING THE PHOTOCHROMIC POLYROTAXANE COMPOUND TOKUYAMA CORPORATION (JP) 2020-06-04 US disclosed
WO-2020017610-A1 PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND 株式会社トクヤマ 2020-01-23 WO disclosed
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 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 (3 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-20220213050-A1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE CRY1, CRY2, TRIP13 ALDH1A1 779/4885MAPT 3612/4885SMN1; SMN2 2698/4885
US-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 ALDH1A1 229/4885MAPT 294/4885SMN1; SMN2 4503/4885
US-20200190106-A1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION INCENP, SMCHD1, ILK ALDH1A1 2274/4885MAPT 2036/4885SMN1; SMN2 1968/4885

“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.