SCHEMBL25844904

SCHEMBL25844904

CC1(C)Oc2cccc(CCl)c2O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
CCR8 P51685 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1A P08908 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
SCHEMBL12681552 0.83 ALDH1A1 (0.46) ALDH1A1TSHRCCR8KCNH2HTR1A
SCHEMBL1695785 0.80 ALDH1A1 (0.41) ALDH1A1TSHRCCR8KCNH2HTR1A
SCHEMBL8400146 0.79 AHR (0.31)
SCHEMBL1690118 0.79 ALDH1A1 (0.40) ALDH1A1TSHRCCR8KCNH2
SCHEMBL18970159 0.79 GABRA1 (0.44) ALDH1A1TSHRCCR8KCNH2
SCHEMBL25844897 0.78 MPO (0.41) HTR1A
SCHEMBL18558014 0.76 ALDH1A1 (0.38) ALDH1A1TSHRCCR8KCNH2
SCHEMBL11021936 0.75 AHR (0.45) ALDH1A1TSHRHTR1A
SCHEMBL14586296 0.74 ALDH1A1 (0.39) ALDH1A1MAPK1KMT2ATSHRCCR8
SCHEMBL18719369 0.74 ALDH1A1 (0.37) ALDH1A1TSHRCCR8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 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 (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-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 ALDH1A1 1764/4885MAPK1 1465/4885KMT2A 4628/4885

“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.