SCHEMBL2018095

SCHEMBL2018095

C#CC(O)(c1ccc(OC)cc1)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
NR4A1 P22736 1/20 0.50
RAB9A P51151 1/20 0.50
MCL1 Q07820 1/20 0.50
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC18A3 Q16572 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL16313177 1.00 MAPT (0.50) MAPTALDH1A1KMT2ANR4A1RAB9A
SCHEMBL7134286 0.99 MAPT (0.51) MAPTALDH1A1KMT2ANR4A1RAB9A
SCHEMBL7477981 0.88 ALDH1A1 (0.44) MAPTALDH1A1KMT2ARAB9AHPGD
SCHEMBL163753 0.88 AKR1C3 (0.52) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL1962366 0.88 KMT2A (0.48) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL27165409 0.88 AKR1C3 (0.52) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL8512751 0.87 HDAC6 (0.43) MAPTALDH1A1KMT2ARAB9AHPGD
SCHEMBL25954126 0.83 TERT (0.41) MAPTALDH1A1KMT2ARAB9AMCL1
SCHEMBL21940997 0.82 RAB9A (0.46) MAPTALDH1A1KMT2ARAB9AHPGD
SCHEMBL3143230 0.82 RAB9A (0.46) MAPTALDH1A1KMT2ARAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US disclosed
US-6478988-B1 Photochromic substituted naphthopyran compounds BMC VISION-EASE LENS, INC. 2002-11-12 US disclosed
EP-0973761-B1 RED COLOURING HYPERCHROMIC 3H-NAPHTHO 2,1-b ]PYRANS JAMES ROBINSON LTD (GB) 2002-07-03 EP disclosed
US-6294112-B1 Red coloring hyperchromic 3H-naphtho[2,1-B]pyrans JAMES ROBINSON LIMITED (GB) 2001-09-25 US disclosed
EP-1016702-A2 Photochromic substituted naphthopyran compounds BMC Vision-Ease Lens Inc. (US) 2000-07-05 EP 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 MAPT 573/4885ALDH1A1 1243/4885KMT2A 1960/4885

“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.