SCHEMBL6860904

SCHEMBL6860904

CCc1ccc(N(CCO)CCO)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP14 P50281 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL11161696 0.85 KMT2A (0.48) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL1598641 0.85 MAPT (0.41) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL5348348 0.84 S100B (0.43) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL13741130 0.79 MAPT (0.43) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL8061571 0.78 S100B (0.49) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL43229 0.74 LPL (0.40) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL6243535 0.73 MAPT (0.44) ALDH1A1TDP1TSHRMAPTKMT2A
Sulfuric Acid SCHEMBL8050521 0.73 S100B (0.44) ALDH1A1TDP1TSHRMAPTKMT2A
Sulfuric Acid SCHEMBL10709596 0.73 S100B (0.44) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL10485747 0.73 ALDH1A1 (0.54) ALDH1A1TDP1TSHRMAPTKMT2A

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-6790877-B2 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2004-09-14 US disclosed
US-20020035169-A1 Bonding compositions for dental use KURARAY CO., LTD (JP) 2002-03-21 US disclosed
US-6355704-B1 BACTERICIDE PRIMERS; BONDING TO TEETH KURARAY CO., LTD. (JP) 2002-03-12 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-20020035169-A1 Bonding compositions for dental use PTK2, DEK, POLK ALDH1A1 2444/4885TDP1 2695/4885TSHR 4726/4885

“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.