SCHEMBL7638745

SCHEMBL7638745

CCOC(=O)C1CCC(O)C=C1c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 9/20 0.41
CACNA1D Q01668 1/20 0.41
POLB P06746 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MPI P34949 1/20 0.41

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
SCHEMBL7635154 0.88 ALDH1A1 (0.41) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7640679 0.87 GAA (0.41) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7636115 0.85 CHRM2 (0.52) RAB9AALDH1A1CACNA1DKDM4EHSD17B10
SCHEMBL7635109 0.83 CHRM2 (0.39) GAARAB9AALDH1A1POLBKDM4E
SCHEMBL7642354 0.81 MAPT (0.51) GAARAB9ASMN1; SMN2ALDH1A1CACNA1D
SCHEMBL7642686 0.81 ALDH1A1 (0.46) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7635138 0.77 GAA (0.47) GAANPC1RAB9AALDH1A1POLB
SCHEMBL7633690 0.76 ALDH1A1 (0.42) GAARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7640107 0.76 SLC6A3 (0.39) ALDH1A1
SCHEMBL7641399 0.75 ALDH1A1 (0.40) GAANPC1RAB9ASMN1; SMN2ALDH1A1

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-6340772-B2 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE NIPPON KAYAKU CO., LTD. (JP) 2002-01-22 US disclosed
US-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives TOYA TETSUYA (JP) 2001-09-06 US disclosed
US-6271418-B1 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE DERIVATIVES. NIPPON KAYAKU CO., LTD. (JP) 2001-08-07 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-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives AHR, CYP3A4, CYP4B1 GAA 2489/4885NPC1 4065/4885RAB9A 4091/4885

“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.