SCHEMBL31731111

SCHEMBL31731111

CCOC(=O)Cc1cccc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCL2 P10415 1/20 0.44
SYK P43405 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
PTGS2 P35354 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
DHODH Q02127 1/20 0.40
BCHE P06276 1/20 0.40
AOC3 Q16853 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
SCHEMBL1124854 0.87 ALDH1A1 (0.47) DRD1NPC1PKMNFKB1RAB9A
SCHEMBL4556815 0.87 SMN1; SMN2 (0.56) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL13061777 0.86 BCL2 (0.54) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL31225506 0.86 MMP3 (0.48) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL13009567 0.84 NPC1 (0.46) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL1125304 0.84 MAOB (0.46) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL13008731 0.82 MAPT (0.53) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL6478104 0.82 TSHR (0.50) DRD1SMN1; SMN2BCL2AOC3
SCHEMBL31225595 0.81 L3MBTL1 (0.48) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL1124875 0.81 GRIN2D (0.55) DRD1BCL2TRIM24TRIM33PTGS2

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-12606533-B2 3-phenylpropylamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-04-21 US disclosed
US-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-11-20 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-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE SF1, SF3A1, SFXN1 DRD1 940/4885NPC1 2279/4885PKM 1559/4885
US-12606533-B2 3-phenylpropylamine derivative SF3A1, SF1, HTR1D DRD1 693/4885NPC1 1729/4885PKM 1989/4885

“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.