SCHEMBL8927338

SCHEMBL8927338

C[C]1Oc2cccc(C)c2O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.40
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAP3K14 Q99558 1/20 0.33
HTR2C P28335 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
TRPA1 O75762 2/20 0.31
CD44 P16070 1/20 0.31
ATM Q13315 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
SCHEMBL3424465 0.87 AHR (0.44) AHRCYP2A6CYP1A2TSHRACHE
SCHEMBL10506604 0.87
SCHEMBL3423393 0.85 AHR (0.43) AHRCYP2A6CYP1A2TSHRACHE
SCHEMBL13113555 0.81 AHR (0.56) AHRCYP2A6CYP1A2TSHRACHE
Chloroform SCHEMBL9781527 0.79 AHR (0.43) AHRCYP2A6CYP1A2TSHRACHE
SCHEMBL25137467 0.76 HPGD (0.33) AHRCYP1A2TSHRACHEALDH1A1
SCHEMBL25137434 0.74 ALDH1A1 (0.34) AHRCYP2A6CYP1A2ALDH1A1CA1
SCHEMBL15332947 0.73 AHR (0.43) AHRTSHRACHE
SCHEMBL5588609 0.73 ALDH1A1 (0.43) AHRCYP1A2TSHRALDH1A1MAP3K14
SCHEMBL15763903 0.73 HPGD (0.38) ALDH1A1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115058-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2021-04-22 US claimed
US-20200207776-A1 SPIROCYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC 2020-07-02 US claimed
EP-3523306-A1 SPIROCYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC (US) 2019-08-14 EP claimed
WO-2018067512-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2018-04-12 WO claimed
US-5691363-A CONTROLLING PHYTOPATHOGENIC FUNGI; APPLYING TO PLANT BEFORE PLANTING UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-11-25 US claimed
US-20210115058-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2021-04-22 US disclosed
US-10934304-B2 Spirocyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-03-02 US disclosed
US-20200207776-A1 SPIROCYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC 2020-07-02 US disclosed
EP-3523306-A1 SPIROCYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC (US) 2019-08-14 EP disclosed
WO-2018067512-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
US-5691363-A CONTROLLING PHYTOPATHOGENIC FUNGI; APPLYING TO PLANT BEFORE PLANTING UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-11-25 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 (3 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-20210115058-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 AHR 1410/4885CYP2A6 583/4885CYP1A2 1217/4885
US-20200207776-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 AHR 1410/4885CYP2A6 583/4885CYP1A2 1217/4885
US-10934304-B2 Spirocyclic compounds PKD1, AR, PKD2 AHR 1410/4885CYP2A6 583/4885CYP1A2 1217/4885

“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.