SCHEMBL6600620

SCHEMBL6600620

C=CCOc1[c]ccc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
MAOA P21397 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL3846804 0.80 MAPT (0.42) ALDH1A1HPGDGAAKDM4EMAPT
SCHEMBL15068102 0.79 GAA (0.43) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL28403962 0.79 HPGD (0.42) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL15066522 0.79 MAPT (0.38) GAAMAPTMEN1KMT2ALMNA
SCHEMBL11513183 0.77 NQO1 (0.36) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL27947525 0.76 CA12 (0.33) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11000808 0.76 CYP2D6 (0.37) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL7249992 0.76 TP53 (0.32)
SCHEMBL8009351 0.76
SCHEMBL11850996 0.74 ALDH1A1 (0.36) ALDH1A1HPGDGAAKDM4EMAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975889-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US claimed
US-9914728-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 US claimed
US-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US claimed
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2017-02-16 US claimed
CN-107266382-B Heteroarylpiperidine and piperazine derivatives as fungicides 拜耳知识产权有限责任公司 2020-10-27 CN disclosed
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-10-01 US disclosed
US-10246420-B2 Pyrazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
EP-2921484-B1 OXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2921485-B1 ISOXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
CN-103492379-B Heteroarylpiperidine and piperazine derivatives as fungicides 拜耳知识产权有限责任公司 2018-06-15 CN disclosed
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US disclosed
EP-2921495-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-03-28 EP disclosed
EP-2797899-A2 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2014-11-05 EP disclosed
US-20140005224-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-02 US disclosed
WO-2013098229-A2 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 WO disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-6632585-B1 Copolymer of partially deuterated and/or halogenated vinyl siloxanes; heat, water and chemical resistance; high transmission at communication wavelength ranges NIPPON SHEET GLASS CO., LTD. (JP) 2003-10-14 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP disclosed
EP-1154323-A1 PHOTOSENSITIVE COMPOSITION, AND OPTICAL WAVEGUIDE ELEMENT AND PROCESS FOR PRODUCING THE SAME Nippon Sheet Glass Co., Ltd. (JP) 2001-11-14 EP 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 (7 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-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT ALDH1A1 1365/4885HPGD 1872/4885GAA 504/4885
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT ALDH1A1 1365/4885HPGD 1872/4885GAA 504/4885
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides RB1, RBX1, RRP12 ALDH1A1 1534/4885HPGD 3001/4885GAA 1717/4885
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 ALDH1A1 1534/4885HPGD 3001/4885GAA 1717/4885
US-20140005224-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT ALDH1A1 1365/4885HPGD 1872/4885GAA 504/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 ALDH1A1 603/4885HPGD 1414/4885GAA 4826/4885
US-10246420-B2 Pyrazole derivatives PDK3, PIR, CAT ALDH1A1 1569/4885HPGD 377/4885GAA 1321/4885

“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.