SCHEMBL22921010

SCHEMBL22921010

CC(C)(C)Cc1ccc(CC(C)(C)c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ IDO1 P14902 4/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MAOB P27338 3/20 0.35
▸ DAO P14920 1/20 0.33
▸ CHRM5 P08912 1/20 0.32
▸ APP P05067 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PYCR1 P32322 1/20 0.32

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
SCHEMBL22921050 0.84 ALDH1A1 (0.38) ESR1ESR2IDO1TAAR1PDE2A
SCHEMBL2600028 0.82 IDO1 (0.54) IDO1TAAR1DAOAPPPDE2A
SCHEMBL23790349 0.82 ESR1 (0.43) ESR1IDO1
SCHEMBL18711204 0.75 ESR1 (0.36) ESR1TAAR1PDE2AALDH1A1
SCHEMBL16116513 0.74 CYP4F2 (0.40) ESR1
SCHEMBL18701033 0.73 CYP1A2 (0.43) IDO1DAOALDH1A1
SCHEMBL1691810 0.72 ESR1 (0.54) ESR1ESR2IDO1TAAR1MAOB
SCHEMBL13021064 0.72 IDO1 (0.54) IDO1TAAR1DAOPDE2A
SCHEMBL24418507 0.71 GABRA1 (0.43) ESR1
SCHEMBL16116515 0.70 ESR1 (0.44) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 — — US disclosed
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same THE ROCKEFELLER UNIVERSITY (US) 2022-05-24 — — US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 — — US disclosed
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME THE ROCKEFELLER UNIVERSITY 2021-01-28 — — 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 (4 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-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same CLPP, MPO, SPOUT1 ESR1 4377/4885ESR2 4162/4885IDO1 2564/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP ESR1 4263/4885ESR2 3840/4885IDO1 2643/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP ESR1 4263/4885ESR2 3840/4885IDO1 2643/4885
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME CLPP, MPO, SPOUT1 ESR1 4377/4885ESR2 4162/4885IDO1 2564/4885

“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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