SCHEMBL16754200

SCHEMBL16754200

COCCC1CCC(CO)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.35
AKR1C3 P42330 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESR2 Q92731 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL127248 0.87
SCHEMBL9735551 0.81 SHBG (0.33) GBA1AKR1C3CHRM2CHRM1CHRM3
SCHEMBL12926314 0.80 AKR1C3 (0.31) AKR1C3
Methoxymethane SCHEMBL10787753 0.79 ESR1 (0.39) ESR1CYP3A4CYP2C9ESR2CHRM2
SCHEMBL18435772 0.78 POLB (0.32) AKR1C3
SCHEMBL2466757 0.77
SCHEMBL3020079 0.77
SCHEMBL14668114 0.76 DAO (0.40) AKR1C3
SCHEMBL791469 0.76 SLC6A4 (0.40) GBA1AKR1C3
SCHEMBL27345682 0.76 AKR1C3 (0.30) AKR1C3

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-20150152097-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-06-04 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-20150152097-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 GBA1 1551/4885AKR1C3 3574/4885ESR1 4237/4885

“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.