SCHEMBL13992044

SCHEMBL13992044

CC1CCC(CC(=O)O)C(C)C1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 5/20 0.41
▸ SLC6A11 P48066 5/20 0.41
▸ SLC6A13 Q9NSD5 5/20 0.41
▸ AKR1C4 P17516 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ SLC6A1 P30531 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRR1 P24046 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL20142223 0.93 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL25678378 0.79 — —
SCHEMBL1861904 0.79 — —
SCHEMBL12993394 0.79 — —
SCHEMBL17281763 0.78 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL9278180 0.75 SLC6A12 (0.57) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL6427735 0.75 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL17755669 0.72 ALOX5 (0.39) —
SCHEMBL13992034 0.72 GBA1 (0.32) —
SCHEMBL1927992 0.72 HSD11B1 (0.44) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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-20080318188-A1 Dimer Acid-Derived Dimethacrylates and Use in Dental Restorative Compositions THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-12-25 — — 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 (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-20080318188-A1 Dimer Acid-Derived Dimethacrylates and Use in Dental Restorative Compositions GRM7, NR2C2, GRM8 SLC6A12 4011/4885SLC6A11 4051/4885SLC6A13 3242/4885

“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.

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