SCHEMBL1815976

SCHEMBL1815976

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
APP P05067 2/20 0.40
MAPT P10636 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AOC3 Q16853 1/20 0.38
MCHR1 Q99705 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
ELANE P08246 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL22005275 0.93 CYP3A4 (0.41) CYP3A4SMN1; SMN2ALDH1A1APPMAPT
SCHEMBL28673732 0.92 APP (0.46) CYP3A4SMN1; SMN2ALDH1A1APPMAPT
SCHEMBL24678322 0.88 CYP3A4 (0.49) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL28370253 0.88 AHR (0.43) SMN1; SMN2ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL1818269 0.88 AHR (0.43) SMN1; SMN2ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL15948906 0.88 LMNA (0.44) SMN1; SMN2ALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL719359 0.86 ALDH1A1 (0.55) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL25954061 0.85 ELANE (0.46) SMN1; SMN2ALDH1A1RECQLAPPMAPT
SCHEMBL164160 0.85 ELANE (0.46) SMN1; SMN2ALDH1A1RECQLAPPMAPT
SCHEMBL1817358 0.85 SMN1; SMN2 (0.45) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995493-B1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE TOKUYAMA CORP (JP) 2024-07-03 EP disclosed
EP-2545095-B1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES, NON-AQUEOUS DISPERSIONS THEREOF AND ARTICLES PREPARED THEREWITH TRANSITIONS OPTICAL INC (US) 2024-01-24 EP disclosed
US-20230280500-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC CURABLE COMPOSITION, CURED BODY, LENS AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2023-09-07 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-11066523-B2 Photochromic polyrotaxane compound and curable composition comprising the photochromic polyrotaxane compound TOKUYAMA CORPORATION (JP) 2021-07-20 US 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
WO-2013078086-A1 PHOTOCHROMIC COMPOUNDS HAVING AT LEAST TWO PHOTOCHROMIC MOIETIES TRANSITIONS OPTICAL, INC. (US) 2013-05-30 WO disclosed
EP-2545140-A1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES Transitions Optical, Inc. (US) 2013-01-16 EP disclosed
EP-2545095-A1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES, NON-AQUEOUS DISPERSIONS THEREOF AND ARTICLES PREPARED THEREWITH Transitions Optical, Inc. (US) 2013-01-16 EP disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 US disclosed
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties TRANSITIONS OPTICAL, INC. (US) 2012-05-31 US disclosed
WO-2011112327-A1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-09-15 WO disclosed
WO-2011112325-A1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES, NON-AQUEOUS DISPERSIONS THEREOF AND ARTICLES PREPARED THEREWITH TRANSITIONS OPTICAL, INC. (US) 2011-09-15 WO disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
US-20100221661-A1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES TRANSITIONS OPTICAL, INC. (US) 2010-09-02 US disclosed
US-20100209697-A1 METHODS FOR PRODUCING PHOTOSENSITIVE MICROPARTICLES, NON-AQUEOUS DISPERSIONS THEREOF AND ARTICLES PREPARED THEREWITH TRANSITIONS OPTICAL, INC. (US) 2010-08-19 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-20220213050-A1 CHROMENE COMPOUND AND PHOTOCHROMIC OPTICAL ARTICLE CRY1, CRY2, TRIP13 CYP3A4 635/4885SMN1; SMN2 2698/4885NR1I2 144/4885
US-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 CYP3A4 2934/4885SMN1; SMN2 4503/4885NR1I2 1201/4885
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 CYP3A4 249/4885SMN1; SMN2 4652/4885NR1I2 2932/4885
US-20200190106-A1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION INCENP, SMCHD1, ILK CYP3A4 1425/4885SMN1; SMN2 1968/4885NR1I2 1421/4885
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties CRY2, PCNA, MTCL3 CYP3A4 3745/4885SMN1; SMN2 4493/4885NR1I2 4447/4885

“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.