SCHEMBL16061706

SCHEMBL16061706

CCc1ccc(CC)c([C]=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA2 P00918 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32

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
SCHEMBL7677706 0.83 TRPA1 (0.40) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL11020423 0.81 CYP2A6 (0.48) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL16953868 0.81 TRPA1 (0.39) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL2704055 0.77 TRPA1 (0.39) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL444673 0.74 TRPA1 (0.48) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL27371993 0.74 GABRA1 (0.46) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL2602714 0.73 LMNA (0.46) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL27954295 0.72 IDO1 (0.38) CYP1A2DAO
SCHEMBL535892 0.70 GABRA1 (0.45) ALDH1A1MAPTL3MBTL1GABRA1GABRB2
SCHEMBL394899 0.70 NOS3 (0.45) TRPA1CYP2A6CYP1A2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 — — US claimed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 — — US claimed
EP-3038621-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR Human Biomolecular Research Institute (US) 2016-07-06 — — EP claimed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 — — US claimed
WO-2014146039-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2014-09-18 — — WO claimed
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 — — US disclosed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 — — US disclosed
US-10874766-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2020-12-29 — — US disclosed
EP-3038621-B1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RES INSTITUTE (US) 2020-12-02 — — EP disclosed
EP-3038621-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR Human Biomolecular Research Institute (US) 2016-07-06 — — EP disclosed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 — — US disclosed
WO-2014146039-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2014-09-18 — — WO 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 (4 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-10874766-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 TRPA1 4821/4885CYP2A6 2351/4885CYP1A2 4169/4885
US-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 TRPA1 4835/4885CYP2A6 1876/4885CYP1A2 4071/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 TRPA1 4835/4885CYP2A6 1876/4885CYP1A2 4071/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 TRPA1 4798/4885CYP2A6 2572/4885CYP1A2 4414/4885

“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.

Send feedback