SCHEMBL22012736

SCHEMBL22012736

CCN(c1ccc(Cc2ccc(N(C(C)C)C(C)C)cc2)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
IGLV6-57 P01721 1/20 0.40
AR P10275 1/20 0.38
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MCL1 Q07820 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ESRRG P62508 1/20 0.33
GRM2 Q14416 1/20 0.33
LTA4H P09960 1/20 0.32
HPGD P15428 1/20 0.32
P2RX3 P56373 1/20 0.31

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
SCHEMBL18279482 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1CYP3A4TSHR
SCHEMBL26788754 0.77 ALDH1A1 (0.40) ALDH1A1TDP1TSHRIGLV6-57MAPT
SCHEMBL18660119 0.76 TAAR1 (0.38) AR
SCHEMBL24198828 0.74 ESR1 (0.44) ALDH1A1TDP1MAPK1CYP3A4TSHR
SCHEMBL22388183 0.74 ESRRG (0.38) ALDH1A1TDP1IGLV6-57ARMAPT
SCHEMBL13091139 0.74 IGLV6-57 (0.45) ALDH1A1TDP1TSHRIGLV6-57AR
SCHEMBL27898878 0.74 MAPK1 (0.39) ALDH1A1TDP1MAPK1CYP3A4TSHR
SCHEMBL14939969 0.73 ALDH1A1 (0.59) ALDH1A1TDP1IGLV6-57ARMAPT
SCHEMBL22144415 0.72 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1CYP3A4TSHR
SCHEMBL1143293 0.72 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 ALDH1A1 787/4885TDP1 4209/4885MAPK1 1630/4885

“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.