SCHEMBL13005279

SCHEMBL13005279

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
ASAH1 Q13510 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HTR6 P50406 2/20 0.33
RARB P10826 3/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DHODH Q02127 1/20 0.32
DGAT1 O75907 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
SCHEMBL13005281 0.99 S1PR1 (0.35) S1PR1ASAH1SIRT2NPC1MAPT
SCHEMBL13005275 0.94 SIRT2 (0.39) S1PR1ASAH1SIRT2MAPTCNR1
SCHEMBL15274880 0.94 S1PR1 (0.33) S1PR1SIRT2CNR2HTR6RARB
SCHEMBL13005273 0.93 SIRT2 (0.38) S1PR1SIRT2MAPTRARBRARA
SCHEMBL13005274 0.93 MAPT (0.35) S1PR1MAPTSMN1; SMN2
SCHEMBL16474339 0.91 SIRT2 (0.37) S1PR1SIRT2MAPTSMN1; SMN2RARB
SCHEMBL13005280 0.89 SIRT2 (0.37) SIRT2MAPTCNR1CNR2HRH3
SCHEMBL15693690 0.88 DHODH (0.35) NPC1MAPTSMN1; SMN2HTR6DHODH
SCHEMBL9914999 0.88 RARB (0.39) ASAH1MAPTCNR2RARBRARA
SCHEMBL15693594 0.88 NR4A2 (0.34) NPC1MAPTSMN1; SMN2HTR6DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 S1PR1 630/4885ASAH1 4030/4885SIRT2 1036/4885
US-20100324296-A1 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES NR0B2, NR0B1, NR2E3 S1PR1 807/4885ASAH1 4072/4885SIRT2 1416/4885

“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.