SCHEMBL22772431

SCHEMBL22772431

CCC1CCCC(=O)C1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
KMT2A Q03164 1/20 0.40
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL18611288 1.00 CA1 (0.41) CA1CA2CA4KMT2ANOS3
SCHEMBL10556878 0.83 CA1 (0.41) CA1CA2CA4KMT2ANOS3
SCHEMBL23142687 0.81 CA1 (0.40) CA1CA2CA4KMT2A
SCHEMBL22462732 0.78 TDP1 (0.37) CA1CA2CA4KMT2ATDP1
SCHEMBL14763899 0.77 CA1 (0.35) CA1CA2CA4KMT2ATDP1
SCHEMBL11803340 0.77 CA1 (0.35) CA1CA2CA4KMT2ATDP1
SCHEMBL9501225 0.76 KMT2A (0.44) CA1CA2CA4KMT2ANOS3
SCHEMBL9870881 0.76 CA1 (0.36) CA1CA2CA4KMT2A
SCHEMBL25653274 0.74 CA1 (0.33) CA1CA2CA4KMT2A
SCHEMBL11835386 0.72 CA1 (0.32) CA1CA2CA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146275-A The synthetic method of medical material 2-methyl-3-ethyl cyclohexanone 无锡乾浩生物医药有限公司 2016-11-23 CN claimed
EP-3983375-B1 LOW-POLLUTION ANTIDEGRADANT COMPOUND AND ANTIDEGRADANT COMPOSITION AND RUBBER COMPOSITION COMPRISING THE SAME FOR TIRES SENNICS CO LTD (CN) 2024-07-24 EP disclosed
US-12024482-B2 Low-pollution antidegradant compound and antidegradant composition and rubber composition comprising the same for tires SENNICS CO., LTD. (CN) 2024-07-02 US disclosed
EP-3983375-A1 LOW-POLLUTION ANTIDEGRADANT COMPOUND AND ANTIDEGRADANT COMPOSITION AND RUBBER COMPOSITION COMPRISING THE SAME FOR TIRES Sennics Co., Ltd. (CN) 2022-04-20 EP disclosed
CN-112175248-B Rubber composition for tire comprising novel low-pollution anti-aging agent 圣奥化学科技有限公司 2022-04-05 CN disclosed
CN-112080036-B Rubber composition for tire containing low-pollution anti-aging agent 圣奥化学科技有限公司 2022-03-29 CN disclosed
US-20210230099-A1 LOW-POLLUTION ANTIDEGRADANT COMPOUND AND ANTIDEGRADANT COMPOSITION AND RUBBER COMPOSITION COMPRISING THE SAME FOR TIRES Sennics Co, Ltd. 2021-07-29 US disclosed
US-11008281-B2 Low-pollution antidegradant compound and antidegradant composition and rubber composition comprising the same for tires SENNICS CO., LTD. (CN) 2021-05-18 US disclosed
CN-112175248-A Rubber composition for tire comprising novel low-pollution anti-aging agent 圣奥化学科技有限公司 2021-01-05 CN disclosed
WO-2020248572-A1 LOW-POLLUTION ANTIDEGRADANT COMPOUND AND ANTIDEGRADANT COMPOSITION AND RUBBER COMPOSITION COMPRISING THE SAME FOR TIRES SENNICS CO., LTD. (CN) 2020-12-17 WO disclosed
US-20200392069-A1 LOW-POLLUTION ANTIDEGRADANT COMPOUND AND ANTIDEGRADANT COMPOSITION AND RUBBER COMPOSITION COMPRISING THE SAME FOR TIRES SENNICS CO., LTD. 2020-12-17 US disclosed
CN-112080036-A Rubber composition for tire comprising novel low-pollution anti-aging agent 圣奥化学科技有限公司 2020-12-15 CN disclosed
CN-106146275-A The synthetic method of medical material 2-methyl-3-ethyl cyclohexanone 无锡乾浩生物医药有限公司 2016-11-23 CN disclosed
CN-106146275-A The synthetic method of medical material 2-methyl-3-ethyl cyclohexanone 无锡乾浩生物医药有限公司 2016-11-23 CN disclosed
CN-106146275-A The synthetic method of medical material 2-methyl-3-ethyl cyclohexanone 无锡乾浩生物医药有限公司 2016-11-23 CN 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-20200392069-A1 LOW-POLLUTION ANTIDEGRADANT COMPOUND AND ANTIDEGRADANT COMPOSITION AND RUBBER COMPOSITION COMPRISING THE SAME FOR TIRES TDP1, POT1, TDP2 CA1 4450/4885CA2 4635/4885CA4 3936/4885
US-11008281-B2 Low-pollution antidegradant compound and antidegradant composition and rubber composition comprising the same for tires TDP1, POT1, TDP2 CA1 4450/4885CA2 4635/4885CA4 3936/4885
US-12024482-B2 Low-pollution antidegradant compound and antidegradant composition and rubber composition comprising the same for tires TDP1, POT1, RIF1 CA1 4419/4885CA2 4596/4885CA4 3933/4885
US-20210230099-A1 LOW-POLLUTION ANTIDEGRADANT COMPOUND AND ANTIDEGRADANT COMPOSITION AND RUBBER COMPOSITION COMPRISING THE SAME FOR TIRES TDP1, POT1, RIF1 CA1 4419/4885CA2 4596/4885CA4 3933/4885

“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.