SCHEMBL4276973

SCHEMBL4276973

COC(=O)Cc1cc(C=O)ccc1OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
FDPS P14324 1/20 0.41
POLB P06746 2/20 0.41
AKR1C3 P42330 1/20 0.40
AOX1 Q06278 1/20 0.40
TSHR P16473 1/20 0.40
FOS P01100 2/20 0.39
JUN P05412 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4281322 0.80 ALDH1A1 (0.51) ALDH1A1HIF1ATSHRFOSJUN
SCHEMBL2824800 0.79 ALDH1A1 (0.48) ALDH1A1HIF1AFDPSPOLBAOX1
SCHEMBL2969633 0.79 FOS (0.47) ALDH1A1HIF1AAKR1C3TSHRFOS
SCHEMBL4280428 0.77 ADRB2 (0.49) SMN1; SMN2HPGDCYP1A2
SCHEMBL4291381 0.76 FOS (0.55) ALDH1A1HIF1ATSHRFOSJUN
SCHEMBL31009650 0.76 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2FDPSPOLBAOX1
SCHEMBL30262368 0.76 FDPS (0.71) ALDH1A1SMN1; SMN2FDPSPOLBTSHR
SCHEMBL7034558 0.76 FDPS (0.71) ALDH1A1SMN1; SMN2FDPSPOLBTSHR
SCHEMBL4288561 0.76 ALDH1A1 (0.60) ALDH1A1HIF1ASMN1; SMN2FDPSAKR1C3
SCHEMBL469520 0.76 EGFR (0.52) ALDH1A1HIF1ASMN1; SMN2POLBAKR1C3

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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 EP 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 ALDH1A1 2031/4885HIF1A 471/4885SMN1; SMN2 2947/4885

“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.