SCHEMBL21241482

SCHEMBL21241482

CCSCc1cc(C)cc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.37
EPHX1 P07099 1/20 0.34
TSHR P16473 2/20 0.33
TYR P14679 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
DHODH Q02127 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL12138190 0.95 POLB (0.38) POLBALDH1A1HPGDEPHX1TYR
SCHEMBL20154276 0.82 EPHX1 (0.35) POLBALDH1A1EPHX1
SCHEMBL10178671 0.79 USP2 (0.34) POLBALDH1A1HPGDHSD17B10
SCHEMBL10204873 0.78 TAAR1 (0.53) ALDH1A1HPGDLMNAMAPTHTT
SCHEMBL12337765 0.75 IDO1 (0.48) ALDH1A1LMNAHTTTDP1
SCHEMBL20614519 0.75 TYR (0.32) TYR
SCHEMBL38659961 0.75 POLB (0.41) POLBALDH1A1HPGDEPHX1PGK1
SCHEMBL29222076 0.75 POLB (0.53) POLBALDH1A1HPGDEPHX1TSHR
SCHEMBL11800640 0.75 ESR1 (0.43) ALDH1A1TYRMEN1KMT2A
SCHEMBL1145143 0.74 NPC1 (0.46) POLBALDH1A1HPGDEPHX1TSHR

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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO 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-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR POLB 3348/4885ALDH1A1 4676/4885HPGD 3614/4885

“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.