SCHEMBL5665997

SCHEMBL5665997

O=C(O)C1(c2ccccc2)COCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.40
ALDH1A1 P00352 4/20 0.36
LDHA P00338 1/20 0.36
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
LMNA P02545 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC4 P56524 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL487380 0.86 AKR1C1 (0.47) AKR1C1ALDH1A1LDHACHRM2CHRM4
SCHEMBL4637584 0.86 AKR1C1 (0.47) AKR1C1ALDH1A1LDHACHRM2CHRM4
SCHEMBL4637662 0.86 AKR1C1 (0.47) AKR1C1ALDH1A1LDHACHRM2CHRM4
SCHEMBL6326779 0.84 LMNA (0.36) AKR1C1ALDH1A1LMNAOPRM1OPRL1
Ammonia Solution, Strong SCHEMBL6650400 0.84 AKR1C1 (0.45) AKR1C1ALDH1A1LDHACHRM2CHRM4
SCHEMBL6435655 0.84 AKR1C1 (0.39) AKR1C1ALDH1A1LDHACHRM2CHRM4
SCHEMBL11609809 0.76 NR4A1 (0.45) ALDH1A1LMNAHTTNPSR1SMN1; SMN2
Potassium Ion SCHEMBL11295824 0.73 AKR1C1 (0.38) AKR1C1LDHALMNAOPRM1OPRL1
SCHEMBL8195263 0.73 AKR1C1 (0.42) AKR1C1ALDH1A1LMNAOPRM1OPRL1
SCHEMBL5180168 0.71 LDHA (0.43) AKR1C1LDHALMNAOPRM1OPRL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730292-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. Phyton Biotech, Inc. (US) 2006-12-13 EP claimed
US-20050221456-A1 Use of indanoyl amide to stimulate secondary metabolism in Taxus sp. PHYTON BIOTECH, INC. (US) 2005-10-06 US claimed
WO-2005079355-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. PHYTON BIOTECH, INC. (US) 2005-09-01 WO claimed
US-20130253061-A1 METHOD OF DROXIDOPA SYNTHESIS CHELSEA THERAPEUTICS, INC. (US) 2013-09-26 US disclosed
EP-1730292-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. Phyton Biotech, Inc. (US) 2006-12-13 EP disclosed
US-20050221456-A1 Use of indanoyl amide to stimulate secondary metabolism in Taxus sp. PHYTON BIOTECH, INC. (US) 2005-10-06 US disclosed
WO-2005079355-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. PHYTON BIOTECH, INC. (US) 2005-09-01 WO 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-20130253061-A1 METHOD OF DROXIDOPA SYNTHESIS DDO, DAO, COMT AKR1C1 3225/4885ALDH1A1 2069/4885LDHA 1477/4885

“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.