SCHEMBL21180004

SCHEMBL21180004

COc1cc(C(C)C)ccc1-c1cnccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP17A1 P05093 5/20 0.42
FYN P06241 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C8 P10632 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ATM Q13315 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CA12 O43570 1/20 0.37

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
SCHEMBL21180023 0.81 ERN1 (0.44) ALDH1A1POLBSMN1; SMN2FYNCYP1A2
SCHEMBL19759545 0.81 AAK1 (0.48) ALDH1A1POLBSMN1; SMN2CYP17A1FYN
SCHEMBL21095840 0.79 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2FYNCYP1A2
SCHEMBL15340842 0.79 HDAC4 (0.46) ALDH1A1POLBSMN1; SMN2CYP1A2CYP2E1
SCHEMBL10272836 0.78 IMPDH2 (0.55) ALDH1A1CYP17A1CYP1A2CYP2E1CYP2D6
SCHEMBL11994404 0.74 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2FYNCYP1A2
SCHEMBL27316386 0.74 SMN1; SMN2 (0.51) ALDH1A1POLBSMN1; SMN2FYN
SCHEMBL29246430 0.73 SLC22A12 (0.46) ALDH1A1POLBSMN1; SMN2CYP1A2CYP2E1
SCHEMBL30421671 0.73 SLC22A12 (0.46) ALDH1A1POLBSMN1; SMN2CYP1A2CYP2E1
SCHEMBL2036717 0.73 CA12 (0.54) ALDH1A1CYP17A1SLC22A12CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2019-07-23 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 (2 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 ALDH1A1 1244/4885POLB 3627/4885SMN1; SMN2 4049/4885
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, GPR119 ALDH1A1 1453/4885POLB 2460/4885SMN1; SMN2 3980/4885

“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.