SCHEMBL13005281

SCHEMBL13005281

CCCCCc1ccc(-c2ccc(-c3ccc4c5c(c(C(=O)OC)cc4c3)C=CC(c3ccccc3)(c3ccc(N4CCCC4)cc3)O5)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
ASAH1 Q13510 1/20 0.33
HTR6 P50406 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RARB P10826 3/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
DGAT1 O75907 1/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK8 P45983 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
SCHEMBL13005279 0.99 S1PR1 (0.35) S1PR1ASAH1HTR6CNR1CNR2
SCHEMBL15274880 0.94 S1PR1 (0.33) S1PR1HTR6CNR2RARBRARA
SCHEMBL13005273 0.94 SIRT2 (0.38) S1PR1RARBRARARARGSIRT2
SCHEMBL13005274 0.94 MAPT (0.35) S1PR1MAPTSMN1; SMN2
SCHEMBL13005275 0.93 SIRT2 (0.39) S1PR1ASAH1CNR1CNR2RARB
SCHEMBL16474339 0.90 SIRT2 (0.37) S1PR1RARBSIRT2MAPTSMN1; SMN2
SCHEMBL13005280 0.88 SIRT2 (0.37) CNR1CNR2SIRT2MAPT
SCHEMBL9914999 0.88 RARB (0.39) ASAH1CNR2RARBRARARARG
SCHEMBL15693594 0.88 NR4A2 (0.34) HTR6NPC1MAPTSMN1; SMN2
SCHEMBL15693690 0.88 DHODH (0.35) HTR6NPC1MAPTSMN1; SMN2

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 4030/4885HTR6 95/4885
US-20100324296-A1 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES NR0B2, NR0B1, NR2E3 S1PR1 807/4885ASAH1 4072/4885HTR6 682/4885

“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.