SCHEMBL17601883

SCHEMBL17601883

O=C(OCC1CC=CCC1)OCC1CC=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 3/20 0.38
PKM P14618 1/20 0.38
SCN9A Q15858 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL17616823 0.96 MAPK1 (0.40) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL19695346 0.91 ALDH1A1 (0.43) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL19695374 0.89 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL19695342 0.88 KDM4E (0.38) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL17616839 0.88 MAPK1 (0.42) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL19707936 0.87 ALDH1A1 (0.37) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL19695386 0.87 ALDH1A1 (0.40) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL17838081 0.86 MAPK1 (0.41) MAPK1SMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL19708302 0.86 MAPK1 (0.37) MAPK1SMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL7232069 0.85 MAPK1 (0.36) MAPK1SMN1; SMN2CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190153354-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-23 US claimed
EP-3468526-A1 FRAGRANCE MATERIAL Takasago International Corporation (JP) 2019-04-17 EP claimed
WO-2017214455-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2017-12-14 WO claimed
CN-109310601-B Fragrance material 高砂香料工业株式会社 2022-05-24 CN disclosed
EP-3468526-B1 FRAGRANCE MATERIAL TAKASAGO PERFUMERY CO LTD (JP) 2021-05-12 EP disclosed
CN-105777671-B Continuous process for epoxidizing olefins using supported heteropolyacids 长春人造树脂厂股份有限公司 2021-01-15 CN disclosed
US-10745646-B2 Fragrance material TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-08-18 US disclosed
US-20190153354-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-23 US disclosed
EP-3468526-A1 FRAGRANCE MATERIAL Takasago International Corporation (JP) 2019-04-17 EP disclosed
WO-2017214455-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2017-12-14 WO disclosed
US-9499505-B2 Process for the epoxidation of olefins CHANG CHUN PLASTICS CO., LTD. (TW) 2016-11-22 US disclosed
US-9499505-B2 Process for the epoxidation of olefins CHANG CHUN PLASTICS CO., LTD. (TW) 2016-11-22 US disclosed
US-9499505-B2 Process for the epoxidation of olefins CHANG CHUN PLASTICS CO., LTD. (TW) 2016-11-22 US disclosed
US-20160177023-A1 CONTINUOUS PROCESS OF OLEFINIC EPOXIDATION BY SUPPORTED HETEROPOLY ACID CHANG CHUN PLASTICS CO., LTD. (TW) 2016-06-23 US disclosed
US-20160177023-A1 CONTINUOUS PROCESS OF OLEFINIC EPOXIDATION BY SUPPORTED HETEROPOLY ACID CHANG CHUN PLASTICS CO., LTD. (TW) 2016-06-23 US disclosed
US-20160177023-A1 CONTINUOUS PROCESS OF OLEFINIC EPOXIDATION BY SUPPORTED HETEROPOLY ACID CHANG CHUN PLASTICS CO., LTD. (TW) 2016-06-23 US disclosed
US-20160083360-A1 PROCESS FOR THE EPOXIDATION OF OLEFINS CHANG CHUN PLASTICS CO., LTD. (TW) 2016-03-24 US disclosed
US-20160083360-A1 PROCESS FOR THE EPOXIDATION OF OLEFINS CHANG CHUN PLASTICS CO., LTD. (TW) 2016-03-24 US disclosed
US-20160083360-A1 PROCESS FOR THE EPOXIDATION OF OLEFINS CHANG CHUN PLASTICS CO., LTD. (TW) 2016-03-24 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 (2 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-10745646-B2 Fragrance material TRPA1, TRPV1, NISCH MAPK1 3927/4885SMN1; SMN2 2478/4885CDK1 4314/4885
US-20160083360-A1 PROCESS FOR THE EPOXIDATION OF OLEFINS HSF1, HMOX1, HSPH1 MAPK1 1550/4885SMN1; SMN2 2846/4885CDK1 2739/4885

“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.