Sugi Predict

Sugi Predict / Compounds / SCHEMBL13005275

SCHEMBL13005275

SCHEMBL13005275

CCCCCc1ccc(-c2ccc(-c3ccc4c5c(c(C(=O)OCC)cc4c3)C=CC(c3ccccc3)(c3ccc(N4CCCCC4)cc3)O5)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.39
▸ SIRT1 Q96EB6 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RARB P10826 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DNMT1 P26358 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
SCHEMBL13005273 0.99 SIRT2 (0.38) SIRT2SIRT1S1PR1KDM4EALDH1A1
SCHEMBL16474339 0.97 SIRT2 (0.37) SIRT2SIRT1S1PR1KDM4EALDH1A1
SCHEMBL13005280 0.95 SIRT2 (0.37) SIRT2MAPTCNR2CNR1
SCHEMBL13005279 0.94 S1PR1 (0.35) SIRT2S1PR1MAPTRARBASAH1
SCHEMBL16474337 0.94 SIRT2 (0.36) SIRT2SIRT1S1PR1KDM4EALDH1A1
SCHEMBL13005281 0.93 S1PR1 (0.35) SIRT2S1PR1MAPTRARBASAH1
SCHEMBL18961305 0.92 SIRT2 (0.36) SIRT2S1PR1
SCHEMBL13005285 0.91 DGAT1 (0.33) SIRT2S1PR1KDM4EALDH1A1L3MBTL1
SCHEMBL18971203 0.91 ALDH1A1 (0.39) SIRT2SIRT1KDM4EALDH1A1L3MBTL1
SCHEMBL15277648 0.91 SIRT2 (0.37) SIRT2SIRT1KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200203-B2 Phototropic liquid crystal material and processes ALPHAMICRON INCORPORATED (US) 2015-12-01 — — US disclosed
US-9102652-B2 Dichroic-photochromic 2H-naphtho[1,2-b]pyran compounds and devices ALPHAMICRON INCORPORATED (US) 2015-08-11 — — US disclosed
US-20140197361-A1 DICHROIC-PHOTOCHROMIC 2H-NAPHTHO[1,2-b]PYRAN COMPOUNDS AND DEVICES ALPHAMICRON INCORPORATED (US) 2014-07-17 — — US disclosed
US-20130248350-A1 PHOTOTROPIC LIQUID CRYSTAL MATERIAL AND PROCESSES ALPHAMICRON INCORPORATED 2013-09-26 — — US disclosed
US-20100324296-A1 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES ALPHAMICRON INCORPORATED 2010-12-23 — — 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 (2 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-20140197361-A1 DICHROIC-PHOTOCHROMIC 2H-NAPHTHO[1,2-b]PYRAN COMPOUNDS AND DEVICES NR0B2, NR0B1, DHCR24 SIRT2 1036/4885SIRT1 730/4885S1PR1 630/4885
US-20100324296-A1 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES NR0B2, NR0B1, NR2E3 SIRT2 1416/4885SIRT1 1226/4885S1PR1 807/4885

“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.