SCHEMBL25554146

SCHEMBL25554146

Cc1ccc2c(c1)CC(C(=O)O)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SRD5A1 P18405 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NOTUM Q6P988 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
ADRB3 P13945 1/20 0.38
ACHE P22303 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL9215130 0.93 CYP1A2 (0.41) CYP1A2ALDH1A1SRD5A1CYP3A4NOTUM
SCHEMBL13344292 0.86 ACHE (0.41) ALDH1A1NOTUMACHEFFAR1
SCHEMBL25554148 0.83 MTNR1A (0.44) ALDH1A1SRD5A1CYP3A4ACHECA1
SCHEMBL345292 0.81 DRD3 (0.57) CYP4F2CYP4A11ACHECA1CA2
SCHEMBL345291 0.81 DRD3 (0.57) CYP4F2CYP4A11ACHECA1CA2
SCHEMBL24440190 0.80 HDAC8 (0.42) CYP1A2ALDH1A1CYP4F2CYP4A11NOTUM
SCHEMBL29958290 0.80 NOTUM (0.43) SRD5A1CYP4F2CYP4A11NOTUMDRD2
SCHEMBL8370381 0.80 ALDH1A1 (0.56) ALDH1A1SRD5A1CYP4F2CYP4A11ADRB3
SCHEMBL31262473 0.80 HDAC8 (0.42) CYP1A2ALDH1A1CYP4F2CYP4A11NOTUM
SCHEMBL27033717 0.80 NOTUM (0.43) SRD5A1CYP4F2CYP4A11NOTUMDRD2

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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CYP1A2 4719/4885ALDH1A1 4654/4885SRD5A1 3903/4885

“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.