SCHEMBL31108471

SCHEMBL31108471

Cc1c(Oc2cccc(Br)c2)ccc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 5/20 0.48
▸ EGFR P00533 2/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ PRKCQ Q04759 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ AHR P35869 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ KDR P35968 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL27275531 1.00 RHEB (0.48) RHEBEGFRCSNK1DPRKCQPRKCD
SCHEMBL27275421 0.80 PRKCQ (0.47) RHEBEGFRPRKCQPRKCDSLC6A4
SCHEMBL30967840 0.80 PRKCQ (0.47) RHEBEGFRPRKCQPRKCDSLC6A4
SCHEMBL31108646 0.79 ALOX5 (0.45) RHEBEGFRCSNK1DCYP1A2CYP3A4
SCHEMBL30967906 0.78 TNKS (0.48) RHEBPRKCQPRKCDPPARD
SCHEMBL29237722 0.78 F10 (0.56) RHEB
SCHEMBL30217325 0.78 F10 (0.56) RHEB
SCHEMBL29237386 0.78 TNKS (0.48) RHEBPRKCQPRKCDPPARD
SCHEMBL30967889 0.77 RHEB (0.41) RHEBEGFRCSNK1DAHRTRPA1
SCHEMBL27275537 0.77 RHEB (0.41) RHEBEGFRCSNK1DAHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 — — US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-06-19 — — US disclosed
US-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE SIONNA THERAPEUTICS INC. 2024-08-22 — — 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 (5 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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 RHEB 3259/4885EGFR 2837/4885CSNK1D 1434/4885
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 RHEB 1600/4885EGFR 3476/4885CSNK1D 1086/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 RHEB 1600/4885EGFR 3476/4885CSNK1D 1086/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 RHEB 1622/4885EGFR 3286/4885CSNK1D 1007/4885
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 RHEB 1111/4885EGFR 1627/4885CSNK1D 1979/4885

“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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