SCHEMBL10280561

SCHEMBL10280561

COCOc1cc(-c2ccc3c(c2)CCO3)ccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
SLC6A9 P48067 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
FFAR1 O14842 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
POLQ O75417 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
DYRK1A Q13627 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
FABP4 P15090 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL1390532 0.86 ACACB (0.48) ERN1GSK3BTAS1R3TAS1R1CYP3A4
SCHEMBL10280413 0.82 ALDH1A1 (0.53) ERN1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL10280160 0.78 RARG (0.46) RAB9AGSK3BDYRK1ACYP3A4CYP2D6
SCHEMBL14886670 0.76 GSK3B (0.52) ERN1NPC1RAB9ACLK1GSK3B
SCHEMBL10460382 0.76 MAPT (0.48) SLC6A9NPC1RAB9AGSK3BSMN1; SMN2
SCHEMBL7922447 0.74 TDP1 (0.51) ERN1NPC1RAB9AALDH1A1MAPT
SCHEMBL10459600 0.74 CLK1 (0.43) NPC1RAB9ACLK1SMN1; SMN2TAS1R3
SCHEMBL7923604 0.73 CHEK1 (0.47) ERN1SMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL7920254 0.72 PLA2G2A (0.51) CYP3A4CYP2D6TSHRALDH1A1MAPT
SCHEMBL7928723 0.72 PLA2G2A (0.50) ERN1TSHRALDH1A1MAPT

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-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ERN1 3393/4885SLC6A9 2115/4885NPC1 978/4885

“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.