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Sugi Predict / Compounds / SCHEMBL2023604

SCHEMBL2023604

SCHEMBL2023604

O=C(c1ccccc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.82
▸ TSHR P16473 5/20 0.82
▸ LMNA P02545 4/20 0.82
▸ NPC1 O15118 4/20 0.82
▸ RAB9A P51151 4/20 0.82
▸ HSD17B10 Q99714 3/20 0.82
▸ MAPT P10636 3/20 0.82
▸ TP53 P04637 3/20 0.82
▸ HPGD P15428 3/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.82
▸ ALOX15 P16050 1/20 0.82
▸ STAT1 P42224 1/20 0.82
▸ L3MBTL1 Q9Y468 1/20 0.82
▸ POLB P06746 2/20 0.77
▸ USP2 O75604 3/20 0.74
▸ MAPK1 P28482 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL14982061 0.90 NPC1 (1.00) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL14095308 0.89 NPC1 (0.73) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL2742812 0.89 NPC1 (0.96) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL7961639 0.88 SMN1; SMN2 (0.70) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL50238 0.87 SMN1; SMN2 (0.74) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL1046759 0.85 ALDH1A1 (1.00) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL2464580 0.85 ALDH1A1 (0.66) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL13648854 0.85 ALDH1A1 (0.66) ALDH1A1TSHRLMNANPC1RAB9A
SCHEMBL28097751 0.84 ALDH1A1 (0.70) ALDH1A1TSHRLMNANPC1RAB9A
Hydrochloric Acid SCHEMBL3967625 0.84 ALDH1A1 (0.64) ALDH1A1TSHRLMNANPC1RAB9A

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
CN-105838349-B photochromic compounds 光学转变公司 2019-12-06 — — CN disclosed
EP-2357217-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 — — EP disclosed
EP-2357217-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2018-10-31 — — EP disclosed
EP-2360224-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2018-10-17 — — EP disclosed
EP-2333028-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2017-11-08 — — EP disclosed
CN-101033393-B Photochromic compounds TRANSITIONS OPTICAL INC 2013-06-05 — — CN disclosed
EP-2360224-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-24 — — EP disclosed
EP-2357217-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-17 — — EP disclosed
EP-2333028-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-15 — — EP disclosed
US-7582749-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2009-09-01 — — US disclosed
US-7557206-B2 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2009-07-07 — — US disclosed
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL, INC. (US) 2008-04-24 — — US disclosed
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL, INC. (US) 2008-04-24 — — US disclosed
US-7342112-B2 Photochromic compounds PPG INDUSTRIES OHIO, INC. (US) 2008-03-11 — — US disclosed
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL ,INC. (US) 2008-02-28 — — US disclosed
US-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2008-02-21 — — US disclosed
CN-1842580-A Photochromic compounds TRANSITIONS OPTICAL INC (US) 2006-10-04 — — CN disclosed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 — — EP disclosed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 — — WO disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 — — 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-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method CCND3, CCND1, CCND2 ALDH1A1 377/4885TSHR 2086/4885LMNA 440/4885
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 ALDH1A1 325/4885TSHR 2083/4885LMNA 505/4885
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 ALDH1A1 485/4885TSHR 1072/4885LMNA 287/4885
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 ALDH1A1 325/4885TSHR 2083/4885LMNA 505/4885
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 ALDH1A1 485/4885TSHR 1072/4885LMNA 287/4885

“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.