SCHEMBL20816005

SCHEMBL20816005

CCC(O)c1cccc(COC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
HIF1A Q16665 3/20 0.41
GALR3 O60755 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRB3 P13945 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD1 P21728 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AOC3 Q16853 2/20 0.40

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
SCHEMBL20816003 1.00 LMNA (0.50) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL3227928 0.82 AOC3 (0.40) LMNAHIF1AADRB2ADRB1HTR1A
SCHEMBL3931230 0.82 LMNA (0.57) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL3931227 0.82 LMNA (0.57) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL10178568 0.81 HDAC4 (0.47) GAAFFAR1
SCHEMBL24015105 0.80 LMNA (0.55) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL11595350 0.79 LMNA (0.70) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL27536091 0.79 LMNA (0.53) LMNAHIF1AGALR3ADRB2ADRB1
SCHEMBL10154607 0.78 HDAC4 (0.46) TSHRKDM4E
SCHEMBL20738611 0.76 ABCB11 (0.46) FFAR1

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-10565015-B2 Spiroketal-based C2-symmetric scaffold for asymmetric catalysis THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-02-18 US disclosed
US-20190084995-A1 Spiroketal-Based C2-Symmetric Scaffold For Asymmetric Catalysis THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-03-21 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-10565015-B2 Spiroketal-based C2-symmetric scaffold for asymmetric catalysis PKD2, OPA1, PKD1 LMNA 2772/4885HIF1A 2277/4885GALR3 1906/4885
US-20190084995-A1 Spiroketal-Based C2-Symmetric Scaffold For Asymmetric Catalysis PKD2, OPA1, PKD1 LMNA 2772/4885HIF1A 2277/4885GALR3 1906/4885

“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.