SCHEMBL18923935

SCHEMBL18923935

CCCC(C)(C)c1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 1/20 0.46
ATM Q13315 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
AHR P35869 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2A P28223 3/20 0.41
SLC6A4 P31645 2/20 0.41
HTR1A P08908 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL30969153 1.00 GPR84 (0.46) GPR84FFAR1ATMMEN1KMT2A
SCHEMBL28981236 0.87 MAPT (0.45) GPR84FFAR1ATMMEN1KMT2A
SCHEMBL13611510 0.86 GPR84 (0.47) GPR84FFAR1ATMMEN1KMT2A
SCHEMBL19059515 0.83 GPR84 (0.44) GPR84FFAR1ATMMEN1KMT2A
SCHEMBL20747968 0.82 ATM (0.41) GPR84ATMMEN1KMT2AMAPT
SCHEMBL21554027 0.82 HTR2A (0.54) GPR84ATMMEN1KMT2AMAPT
SCHEMBL18137635 0.82 SIRT2 (0.42) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL7370382 0.81 HTR2A (0.45) GPR84ATMMEN1KMT2AMAPT
SCHEMBL29611302 0.81 HTR2A (0.47) GPR84ATMMEN1KMT2AMAPT
SCHEMBL273916 0.81 HTR2A (0.47) GPR84ATMMEN1KMT2AMAPT

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-20230124429-A1 Highly Efficient Myeloperoxidase Activatable Imaging Agents THE GENERAL HOSPITAL CORPORATION 2023-04-20 US disclosed
US-9669038-B1 Heterocyclic compounds and uses thereof GLOBAVIR BIOSCIENCES, INC. (US) 2017-06-06 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-20230124429-A1 Highly Efficient Myeloperoxidase Activatable Imaging Agents MPO, CAT, EPX GPR84 3914/4885FFAR1 2653/4885ATM 4423/4885

“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.