SCHEMBL13502058

SCHEMBL13502058

CCCCCN(CCCCC)c1cc2c3cc(N(CCCCC)CCCCC)c(C)cc3p(-c3ccccc3)c2cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PAX8 Q06710 1/20 0.30

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
SCHEMBL13502069 0.79 NR3C1 (0.40) CRHR1ALDH1A1
SCHEMBL12743780 0.76 S1PR5 (0.41) ALDH1A1OPRK1MEN1MAPTKMT2A
SCHEMBL13502051 0.75 LIPG (0.40) ALDH1A1KCNH2MAPTEPHX2PKM
SCHEMBL13502329 0.75 GAA (0.42) ALDH1A1KCNH2MAPTKMT2A
SCHEMBL12593219 0.74 S1PR5 (0.39) ALDH1A1OPRK1MEN1MAPTKMT2A
SCHEMBL13502091 0.73 S1PR5 (0.36) MEN1KMT2A
SCHEMBL25224584 0.69 ALDH1A1 (0.54) CRHR1ALDH1A1TP53KCNH2ELANE
SCHEMBL14523478 0.69 CRHR1 (0.33) CRHR1ALDH1A1TP53
SCHEMBL14523500 0.69 IGLV6-57 (0.35) CRHR1ALDH1A1TP53ELANE
SCHEMBL9278064 0.68 KCNH2 (0.44) ALDH1A1TP53KCNH2DRD2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662478-B2 Polymer and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 — — US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 — — 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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A CRHR1 29/4885ALDH1A1 272/4885TP53 4824/4885

“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.

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