SCHEMBL5675901

SCHEMBL5675901

CC1=Cc2ccccc2[C]c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
PLIN1 O60240 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GSR P00390 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HSPD1 P10809 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
UCHL3 P15374 1/20 0.32
HPGD P15428 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
SCHEMBL5916036 0.75 PTPN1 (0.42) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL7270394 0.74
SCHEMBL5085740 0.73 TSHR (0.35) LMNA
SCHEMBL5677598 0.72 PTPN1 (0.40) ALDH1A1HPGDMAOAMAOBMAPK1
SCHEMBL102781 0.71 MEN1 (0.37) MEN1PLIN1ALDH1A1LMNATP53
SCHEMBL5677258 0.71 GPR84 (0.50)
SCHEMBL28396284 0.69 CDC25A (0.37) MEN1PLIN1NR1I2USP2ALDH1A1
SCHEMBL11151876 0.67 GABRA1 (0.33) ALDH1A1
SCHEMBL709852 0.66 MAPT (0.39) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL216778 0.66 LMNA (0.38) MEN1PLIN1NR1I2USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036109-A1 Tropylideneamines and use thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-02-16 US disclosed
EP-1614674-A2 Tropylideneamines and their use Lanxess Deutschland GmbH (DE) 2006-01-11 EP disclosed
US-20050283014-A1 Bistropylidenediamines and use thereof LANXESS DEUTSCHLAND GMBH (DE) 2005-12-22 US disclosed
EP-1604973-A1 Bistropylidenediamines and their use Lanxess Deutschland GmbH (DE) 2005-12-14 EP 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-20060036109-A1 Tropylideneamines and use thereof PNMT, INMT, HNMT MEN1 2422/4885PLIN1 4639/4885NR1I2 4212/4885
US-20050283014-A1 Bistropylidenediamines and use thereof FHIT, BTD, HNMT MEN1 740/4885PLIN1 4511/4885NR1I2 4141/4885

“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.