SCHEMBL26500869

SCHEMBL26500869

CC(C)c1ccc(Bc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MLKL Q8NB16 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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
SCHEMBL19734121 0.90 TYR (0.44) TYRRAB9AMAPTL3MBTL1CYP2C9
SCHEMBL19734142 0.81 ACHE (0.40) TYRRAB9AMAPTL3MBTL1CNR2
Isopropylbenzene SCHEMBL7041369 0.79 TAAR1 (0.48) TYRCYP2C9CYP2D6HIF1AHTT
Benzene SCHEMBL5833599 0.79 TYR (0.52) TYRCNR2CYP2C9CYP2D6HIF1A
SCHEMBL8427192 0.77 CHKA (0.44) RAB9AHTTKDM4EALDH1A1
Isopropylbenzene SCHEMBL87809 0.76 TAAR1 (0.50) CYP2D6HIF1AKDM4EALDH1A1
Isopropylbenzene SCHEMBL8431863 0.76 TAAR1 (0.50) CYP2D6HIF1AKDM4EALDH1A1
Isopropylbenzene SCHEMBL3672803 0.76 TAAR1 (0.50) CYP2D6HIF1AKDM4EALDH1A1
Isopropylbenzene SCHEMBL6568 0.76 — —
Isopropylbenzene SCHEMBL11254813 0.76 — —

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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 — — 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYR 1382/4885RAB9A 876/4885MAPT 3027/4885

“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.

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