SCHEMBL9874966

SCHEMBL9874966

CC(C)(C)C(=Cc1ccccc1C=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
AKR1C3 P42330 1/20 0.36
ELANE P08246 1/20 0.35
PRTN3 P24158 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HBB P68871 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL27206802 0.78 LMNA (0.57) KMT2ALMNAMEN1TDP1ALDH1A1
SCHEMBL2886179 0.78 LMNA (0.57) KMT2ALMNAMEN1TDP1ALDH1A1
SCHEMBL2886181 0.78 LMNA (0.57) KMT2ALMNAMEN1TDP1ALDH1A1
SCHEMBL7738526 0.78 KDM4E (0.55) KMT2ALMNAMEN1ALDH1A1ELANE
SCHEMBL525211 0.77 AKR1C3 (0.55) KMT2ALMNAMEN1TDP1ALDH1A1
SCHEMBL525210 0.77 AKR1C3 (0.55) KMT2ALMNAMEN1TDP1ALDH1A1
SCHEMBL16738523 0.76 ALDH1A1 (0.35) TDP1ALDH1A1
SCHEMBL8416364 0.76 AKR1C3 (0.59) KMT2ALMNAMEN1TDP1THRB
SCHEMBL7525200 0.76 AKR1C3 (0.59) KMT2ALMNAMEN1TDP1THRB
SCHEMBL1580086 0.74 EGFR (0.49) KMT2AMEN1ALDH1A1AKR1C3

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-20240116965-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2024-04-11 US disclosed
US-5011848-A Cardiovascular disorders, hypotensive agents GLAXO, S.P.A. (IT) 1991-04-30 US disclosed
US-4801599-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS GLAXO S.P.A. (IT) 1989-01-31 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-20240116965-A1 ORGANOMETALLIC COMPOUNDS DDT, PPOX, PDCD2L KMT2A 476/4885LMNA 4472/4885MEN1 307/4885

“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.