SCHEMBL22440902

SCHEMBL22440902

CCC(O)(C(=O)O)[C@](O)(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
ACLY P53396 2/20 0.40
FFAR3 O14843 2/20 0.39
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
TET2 Q6N021 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL1197211 1.00 ALDH1A1 (0.44) ALDH1A1TSHRACLYFFAR3MEN1
SCHEMBL1196173 1.00 ALDH1A1 (0.44) ALDH1A1TSHRACLYFFAR3MEN1
SCHEMBL387177 1.00 ALDH1A1 (0.44) ALDH1A1TSHRACLYFFAR3MEN1
Boric Acid SCHEMBL30679497 0.91 ALDH1A1 (0.38) ALDH1A1TSHRACLYFFAR3MEN1
Boric Acid SCHEMBL30679498 0.91 ALDH1A1 (0.38) ALDH1A1TSHRACLYFFAR3MEN1
Isopropyl Alcohol SCHEMBL19951528 0.89 ALDH1A1 (0.36) ALDH1A1TSHRACLYFFAR3MEN1
Isopropyl Alcohol SCHEMBL19951527 0.87 ALDH1A1 (0.35) ALDH1A1TSHRACLYFFAR3MEN1
SCHEMBL30791101 0.87 ACLY (0.54) ALDH1A1TSHRACLYFFAR3MEN1
SCHEMBL11418482 0.85 TSHR (0.45) ALDH1A1TSHRACLYFFAR3MEN1
SCHEMBL28448094 0.85 ALDH1A1 (0.38) ALDH1A1TSHRACLYFFAR3MEN1

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-20200299306-A1 COMPOUNDS WITH A BENZO[A]CARBAZOLE STRUCTURE AND USE THEREOF UNIVERSITA' DI PISA (IT) 2020-09-24 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-20200299306-A1 COMPOUNDS WITH A BENZO[A]CARBAZOLE STRUCTURE AND USE THEREOF MKI67, CCNI, CASP3 ALDH1A1 149/4885TSHR 2723/4885ACLY 2164/4885

“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.