SCHEMBL1333738

SCHEMBL1333738

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc(Br)c6c(c5)-c5c(c7c(c8ccccc58)OC(c5ccc(F)cc5)(c5ccc(N8CCCCC8)cc5)C=C7)C6(C)C)cc4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ROCK1 Q13464 2/20 0.32
MAPT P10636 3/20 0.32
MCHR1 Q99705 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ROCK2 O75116 1/20 0.32
HTR2A P28223 3/20 0.32
DRD3 P35462 3/20 0.32
TSHR P16473 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31

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
SCHEMBL12573705 1.00 RAB9A (0.35) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL29910323 1.00 RAB9A (0.35) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL29910225 0.92 RAB9A (0.31) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL1332863 0.92 RAB9A (0.31) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL12573751 0.92 RAB9A (0.31) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL3694385 0.89 NPC1 (0.36) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL12553396 0.89 NPC1 (0.36) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL1334125 0.88 HTR2A (0.32) SMN1; SMN2ALOX15MAPK1MAPTMEN1
SCHEMBL12573734 0.88 HTR2A (0.32) SMN1; SMN2ALOX15MAPK1MAPTMEN1
SCHEMBL29910196 0.88 HTR2A (0.32) SMN1; SMN2ALOX15MAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP claimed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP claimed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US claimed
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
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-2895897-B1 A PHOTOCHROMIC ARTICLE HAVING TWO AT LEAST PARTIALLY CROSSED PHOTOCHROMIC-DICHROIC LAYERS TRANSITIONS OPTICAL INC (US) 2020-03-25 EP disclosed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2969468-A1 METHOD OF PREPARING PHOTOCHROMIC-DICHROIC FILMS HAVING REDUCED OPTICAL DISTORTION Transitions Optical, Inc. (US) 2016-01-20 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 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-20140078583-A1 Photochromic Article Having At Least Partially Crossed Polarized Photochromic-Dichroic And Fixed-Polarized Layers TRANSITIONS OPTICAL, INC. (US) 2014-03-20 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-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 US disclosed
US-8545015-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20120120473-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-05-17 US disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 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-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX RAB9A 2888/4885SMN1; SMN2 4030/4885NPC1 1896/4885

“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.