SCHEMBL22154121

SCHEMBL22154121

OCc1c[nH]c2ccc(Cl)c(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.46
AR P10275 1/20 0.40
SLC6A4 P31645 1/20 0.36
HTR2C P28335 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
AHR P35869 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 1/20 0.34
HTR2A P28223 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL5387076 0.85 HTR2C (0.47) GPR84ARSLC6A4HTR2CHTR2A
SCHEMBL9755961 0.79 ALDH1A1 (0.58) GPR84MEN1MAPTKMT2ATDP1
SCHEMBL7854823 0.78 HTR2A (0.56) GPR84HTR2CCYP3A4MAPTKMT2A
Hydrochloric Acid SCHEMBL7674197 0.77 HTR2A (0.54) HTR2CCYP3A4MAPTKMT2AHTR2A
SCHEMBL9756250 0.74 NR4A2 (0.43) GPR84SLC6A4MEN1CYP3A4MAPT
SCHEMBL22126527 0.73 KMT2A (0.56) SLC6A4HTR2CMEN1CYP3A4MAPT
SCHEMBL22126528 0.73 KMT2A (0.56) SLC6A4HTR2CMEN1CYP3A4MAPT
Acetic Acid SCHEMBL16324696 0.68 GAA (0.40) GPR84ARGRIN2DGRIN3BGRIN1
SCHEMBL25381397 0.68 CYP2A6 (0.50) GPR84HTR2CMEN1CYP3A4MAPT
SCHEMBL8121252 0.68 GPR84 (0.73) GPR84HTR2CMEN1MAPTKMT2A

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-11192888-B2 Antibacterial compounds THE UNIVERSITY OF NOTTINGHAM (GB) 2021-12-07 US disclosed
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS THE UNIVERSITY OF NOTTINGHAM (GB) 2020-06-25 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-11192888-B2 Antibacterial compounds CFTR, CLPP, MRPL21 GPR84 3764/4885AR 4738/4885SLC6A4 4641/4885
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS CFTR, CLPP, MRPL21 GPR84 3764/4885AR 4738/4885SLC6A4 4641/4885

“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.