SCHEMBL4476386

SCHEMBL4476386

C=Cc1cccc(C(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.61
GABRB1 P18505 4/20 0.61
GABRB2 P47870 2/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 2/20 0.61
FAAH O00519 1/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
HTR2C P28335 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
HTR2B P41595 1/20 0.61
GABRA2 P47869 1/20 0.61

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
SCHEMBL19779563 0.80 GABRA1 (0.61) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL310825 0.80 GABRA1 (0.61) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL13273489 0.80 GABRA1 (0.61) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL56243 0.79 GABRA1 (0.44) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL29717597 0.79 GABRA1 (0.44) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL29763599 0.78 GABRA1 (0.59) GABRA1GABRB1GABRB2GABRG2GABRB3
Propofol SCHEMBL2414429 0.78 GABRA1 (1.00) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL4962062 0.78 ALDH1A1 (0.46) GABRA1GABRB2CA1CA2HPGD
Propofol SCHEMBL36245 0.78 GABRA1 (1.00) GABRA1GABRB1GABRB2GABRG2GABRB3
SCHEMBL16955337 0.78 GABRA1 (0.41) GABRA1GABRB1GABRB2GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256510-B1 PROCESS AND SYSTEM FOR PRODUCTION OF POLYPROPIOLACTONE NOVOMER INC (US) 2020-12-09 EP disclosed
WO-2016131001-A9 PROCESS AND SYSTEM FOR PRODUCTION OF POLYPROPIOLACTONE NOVOMER INC. (US) 2017-07-13 WO disclosed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
CN-101115734-A Spiro derivatives as lipoxygenase inhibitors LILLY CO ELI (US) 2008-01-30 CN disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 GABRA1 3804/4885GABRB1 3582/4885GABRB2 3651/4885

“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.