SCHEMBL21370541

SCHEMBL21370541

CC(C)CC(C)c1ccc(F)c(O)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2A P08913 3/20 0.37
▸ ADRA2B P18089 3/20 0.37
▸ ADRA2C P18825 3/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ MEP1A Q16819 1/20 0.30
▸ MEP1B Q16820 1/20 0.30
▸ F2RL1 P55085 3/20 0.30

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
SCHEMBL24743661 0.79 ADRB2 (0.36) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL14951743 0.78 GABRA1 (0.44) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL24133915 0.69 GABRA1 (0.50) GABRA1GABRB2MEP1AMEP1B
SCHEMBL24724632 0.68 TSHR (0.47) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL24761803 0.68 HMGCR (0.31) —
SCHEMBL22924942 0.67 ADRB2 (0.43) ADRB2ADRB1ADRB3ADRA2BGABRA1
SCHEMBL12891864 0.67 CES2 (0.42) ADRB2ADRB1ADRB3CES2CES1
SCHEMBL30567471 0.67 RORC (0.42) GABRA1GABRB2
SCHEMBL2737293 0.66 GABRA1 (0.50) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL16117022 0.66 TSHR (0.44) ADRB2ADRB1ADRB3ADRA2AADRA2B

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-11447452-B2 Agonists of peroxisome proliferator-activated receptor alpha and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-09-20 — — US disclosed
US-20210024469-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2021-01-28 — — US disclosed
WO-2019178439-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-09-19 — — WO 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 (2 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-20210024469-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AND METHODS OF USE PPARG, PPARA, PPARD ADRB2 86/4885ADRB1 30/4885ADRB3 68/4885
US-11447452-B2 Agonists of peroxisome proliferator-activated receptor alpha and methods of use PPARG, PPARA, PPARD ADRB2 86/4885ADRB1 30/4885ADRB3 68/4885

“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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