SCHEMBL1962065

SCHEMBL1962065

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c7c(c8c(c6c5)-c5cc(F)cc(F)c5C8(C)C)C=CC(c5ccccc5)(c5ccc(N6CCOCC6)cc5)O7)cc4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.34
MAPT P10636 2/20 0.33
ROCK1 Q13464 2/20 0.33
BTK Q06187 2/20 0.33
KDM1A O60341 1/20 0.33
RARB P10826 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL12553391 1.00 MCHR1 (0.34) MCHR1MAPTROCK1BTKKDM1A
SCHEMBL12553396 0.93 NPC1 (0.36) MCHR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3694385 0.93 NPC1 (0.36) MCHR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17656079 0.89 BTK (0.32) MCHR1MAPTBTKKDM1ARARB
SCHEMBL9968003 0.88 FGFR1 (0.35) MCHR1MAPTROCK1BTKKDM1A
SCHEMBL1332389 0.88 FGFR1 (0.35) MCHR1MAPTROCK1BTKKDM1A
SCHEMBL16021434 0.87 ROCK1 (0.33) MCHR1MAPTROCK1BTKKDM1A
SCHEMBL16011348 0.87 ROCK1 (0.33) MCHR1MAPTROCK1BTKKDM1A
SCHEMBL2015558 0.86 FGFR1 (0.34) MAPTBTKRARBRARARARG
SCHEMBL12573739 0.86 CTNNB1 (0.36) MAPTBTKKDM1ARARBRARA

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
EP-2718754-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-01-24 EP disclosed
EP-2969499-B1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL INC (US) 2021-12-08 EP disclosed
EP-2969468-B1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL INC (US) 2020-12-23 EP disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
US-20140265010-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL LIMITED (IE) 2014-09-18 US disclosed
US-20140264979-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION TRANSITIONS OPTICAL LIMITED (IE) 2014-09-18 US disclosed
US-8649081-B1 Photochromic article having two at least partially crossed photochromic-dichroic layers TRANSITIONS OPTICAL, INC. (US) 2014-02-11 US disclosed
US-8545015-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-20120120473-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-05-17 US disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 MCHR1 371/4885MAPT 785/4885ROCK1 293/4885

“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.