SCHEMBL5682175

SCHEMBL5682175

CCCCCCC(Cl)(Cl)CC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
FDPS P14324 10/20 0.41
SMPD1 P17405 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GGPS1 O95749 6/20 0.39
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 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
SCHEMBL17241830 1.00 TSHR (0.44) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL1639544 0.88 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL3346971 0.88 TSHR (0.50) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL27778757 0.86 TSHR (0.47) TSHRTHRBFDPSSMPD1ALDH1A1
Methylene Chloride SCHEMBL3865938 0.83 TSHR (0.48) TSHRTHRBFDPSSMPD1ALDH1A1
Methylene Chloride SCHEMBL2064725 0.83 TSHR (0.48) TSHRTHRBFDPSSMPD1ALDH1A1
Methylene Chloride SCHEMBL19064598 0.83 TSHR (0.48) TSHRTHRBFDPSSMPD1ALDH1A1
Methylene Chloride SCHEMBL2388456 0.83 TSHR (0.48) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL10839732 0.82 TSHR (0.41) TSHRTHRBFDPSSMPD1ALDH1A1
SCHEMBL8197016 0.80 FDPS (0.39) TSHRTHRBFDPSSMPD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626046-B1 Photochromic oxazine compounds and methods for their manufacture ESSILOR INT (FR) 2014-11-19 EP disclosed
EP-1458695-B1 Method for the manufacture of photochromic oxazine compounds and compounds obtainable therefrom ESSILOR INT (FR) 2012-10-03 EP disclosed
CN-1305861-C Photochromic oxazine compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE (FR) 2007-03-21 CN disclosed
EP-1626046-A1 Photochromic oxazine compounds and methods for their manufacture Johson & Johnson Vision Care Inc. (US) 2006-02-15 EP disclosed
CN-1617861-A Photochromic oxazine compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE (US) 2005-05-18 CN disclosed
EP-1458695-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-09-22 EP disclosed
US-6720420-B2 AROMATIC, HETEROAROMATIC, OR ALIPHATIC SUBSTITUENTS AT THE 2 POSITION OF THE OXAZINE MOIETY; REACTING 3,3-DISUBSTITUTED ACRYLIC ACID, AZIDE SOURCE, QUINONE WITH CATALYTIC TRIPHENYLARSENIC OXIDE AND DBU; QUICKLY FADING GRAY COLOR JOHNSON & JOHNSON VISION CARE, INC. 2004-04-13 US disclosed
WO-2003057679-A9 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE (US) 2004-02-26 WO disclosed
US-20030149032-A1 Photochromic oxazine compounds and methods for their manufacture ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2003-08-07 US disclosed
WO-2003057679-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-07-17 WO 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-20030149032-A1 Photochromic oxazine compounds and methods for their manufacture PPOX, TYR, DHPS TSHR 3755/4885THRB 4345/4885FDPS 606/4885

“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.