SCHEMBL29940852

SCHEMBL29940852

CC(C)C(Cc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.47
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
FAAH O00519 1/20 0.41
KLK5 Q9Y337 2/20 0.40
MAPT P10636 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 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
SCHEMBL21893246 1.00 ACACB (0.47) ACACBRAB9ANPC1POLBCA1
SCHEMBL18262463 0.85 ACE (0.52) ACACBRAB9ANPC1POLBCTSB
SCHEMBL18262461 0.85 ACE (0.52) ACACBRAB9ANPC1POLBCTSB
SCHEMBL20415861 0.85 REN (0.46) ACACBRAB9ANPC1POLBTAS1R3
SCHEMBL20415717 0.84 CTSC (0.49) ACACBRAB9ANPC1POLBTAS1R3
SCHEMBL18262693 0.84 TAS1R3 (0.52) ACACBRAB9ANPC1POLBTAS1R3
SCHEMBL20415708 0.84 TAS1R3 (0.52) ACACBRAB9ANPC1POLBTAS1R3
SCHEMBL21893206 0.81 CA1 (0.41) CA1CA2CA7KLK5CA4
SCHEMBL20397635 0.78 KLK5 (0.46) TAS1R3TAS1R1KLK5CTSBCTSS
SCHEMBL20415765 0.78 ECE1 (0.40) ACACBRAB9ANPC1POLBMAPT

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-11447498-B2 Fused tetracyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-09-20 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-11447498-B2 Fused tetracyclic compounds and uses thereof in medicine SLC10A1, CYP4A11, CYP11B2 ACACB 1501/4885RAB9A 2615/4885NPC1 86/4885

“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.