SCHEMBL23421663

SCHEMBL23421663

CC(C)OCCOCc1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
ALOX5 P09917 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFE2L2 Q16236 1/20 0.38
NR4A2 P43354 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
NPC1 O15118 2/20 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
SCHEMBL534037 0.83 ADRB2 (0.50) IDO1ADRB2ADRB1ADRB3LMNA
SCHEMBL10268290 0.83 ADRB2 (0.50) IDO1ADRB2ADRB1ADRB3LMNA
SCHEMBL21505013 0.83 ADRB2 (0.50) IDO1ADRB2ADRB1ADRB3LMNA
SCHEMBL17887406 0.83 IDO1 (0.55) IDO1RXRARXRBALOX5L3MBTL1
SCHEMBL3369539 0.83 ADRB2 (0.54) IDO1ADRB2ADRB1ADRB3LMNA
SCHEMBL10037561 0.82 IDO1 (0.59) IDO1MEN1KMT2ARXRARXRB
SCHEMBL260335 0.82 IDO1 (0.63) IDO1RXRARXRBALOX5L3MBTL1
SCHEMBL2293769 0.82 IDO1 (0.68) IDO1RXRARXRBALOX5L3MBTL1
SCHEMBL25623130 0.81 IDO1 (0.53) IDO1ADRB2ADRB1ADRB3KMT2A
SCHEMBL7863823 0.81 TSHR (0.54) ADRB2ADRB1ADRB3LMNAMEN1

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-20210154202-A1 SYNTHESIS OF DENTIMOL, AN ANTIGLAUCOMA DRUG VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-27 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-20210154202-A1 SYNTHESIS OF DENTIMOL, AN ANTIGLAUCOMA DRUG PTGIR, PTGIS, DNM1L IDO1 4876/4885ADRB2 22/4885ADRB1 31/4885

“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.