SCHEMBL4670962

SCHEMBL4670962

C1=CC(c2ccccc2)(c2ccc(N3CCCC3)cc2)Oc2ccc3cc(N4CCOCC4)ccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.39
DPP4 P27487 2/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NSD2 O96028 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
AKR1C3 P42330 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4670960 0.99 PRKDC (0.39) PRKDCDPP4ADORA2AADORA1KDM4E
SCHEMBL4677173 0.99 PRKDC (0.39) PRKDCDPP4ADORA2AADORA1KDM4E
SCHEMBL4676232 0.99 PRKDC (0.39) PRKDCDPP4ADORA2AADORA1KDM4E
SCHEMBL4673869 0.99 PRKDC (0.39) PRKDCDPP4ADORA2AADORA1KDM4E
SCHEMBL4671088 0.95 HTT (0.35) PRKDCDPP4SMN1; SMN2HTT
SCHEMBL4673267 0.95 HTT (0.35) PRKDCDPP4SMN1; SMN2HTT
SCHEMBL4673163 0.95 HTT (0.35) PRKDCDPP4SMN1; SMN2HTT
SCHEMBL4674836 0.95 HTT (0.35) PRKDCDPP4SMN1; SMN2HTT
SCHEMBL6321380 0.95 HTT (0.35) PRKDCDPP4SMN1; SMN2HTT
SCHEMBL4670953 0.89 IDH1 (0.33) PRKDCSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461330-B1 3H-NAPHTHO[2,1-b]-PYRANE DERIVATIVES AND THEIR USE RODENSTOCK GMBH (DE) 2008-03-12 EP claimed
US-6967249-B2 Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith RODENSTOCK GMBH (DE) 2005-11-22 US claimed
US-20040267013-A1 Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith RODENSTOCK GMBH 2004-12-30 US claimed
EP-1461330-A1 3H-NAPHTHO 2,1-B]-PYRANE DERIVATIVES AND THE USE OF THE SAME Rodenstock GmbH (DE) 2004-09-29 EP claimed
WO-2003055872-A1 3H-NAPHTHO[2,1-B]-PYRANE DERIVATIVES AND THE USE OF THE SAME RODENSTOCK GMBH (DE) 2003-07-10 WO claimed
EP-1461330-B1 3H-NAPHTHO[2,1-b]-PYRANE DERIVATIVES AND THEIR USE RODENSTOCK GMBH (DE) 2008-03-12 EP disclosed
US-6967249-B2 Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith RODENSTOCK GMBH (DE) 2005-11-22 US disclosed
US-20040267013-A1 Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith RODENSTOCK GMBH 2004-12-30 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 (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-20040267013-A1 Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith RB1, TERB1, CRY2 PRKDC 2885/4885DPP4 3541/4885ADORA2A 3476/4885

“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.