SCHEMBL24725

SCHEMBL24725

O=C(Oc1[c]cccc1)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALOX15 P16050 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL3428907 0.81 HPGD (0.56) KMT2AALDH1A1MAPTESR1ESR2
SCHEMBL25248 0.77 NPC1 (0.43) KMT2AMAPTCYP1A2CYP2C19CES2
SCHEMBL23289 0.75 F2 (0.48) KMT2AALDH1A1MAPTESR1ESR2
SCHEMBL3231544 0.75 F2 (0.30) LMNA
SCHEMBL9620982 0.75 SLC6A3 (0.59) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3428268 0.75 ESR1 (0.43) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL8585925 0.75 KMT2A (0.52) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL5687713 0.75 KMT2A (0.60) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL23380 0.73 ESR1 (0.52) KMT2AALDH1A1MAPTCES2CES1
SCHEMBL8226022 0.73 CYP3A4 (0.40) KMT2AALDH1A1MAPTCYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP disclosed
EP-2609094-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-05-30 EP disclosed
US-9930890-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-04-03 US disclosed
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-11 US disclosed
EP-3241829-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2017-11-08 EP disclosed
US-9770027-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2017-09-26 US disclosed
EP-3109248-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2016-12-28 EP disclosed
US-20160309719-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2016-10-27 US disclosed
US-9434723-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
US-9150565-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2015-10-06 US disclosed
US-20150175598-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-06-25 US disclosed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-07-24 US disclosed
US-8759527-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
US-20130296272-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-07 US disclosed
EP-2609094-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-07-03 EP disclosed
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
WO-2012025557-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-01 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 (6 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-20150175598-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885ALDH1A1 1292/4885MAPT 3865/4885
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885ALDH1A1 1292/4885MAPT 3865/4885
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885ALDH1A1 1292/4885MAPT 3865/4885
US-20160309719-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885ALDH1A1 1292/4885MAPT 3865/4885
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885ALDH1A1 1292/4885MAPT 3865/4885
US-20130296272-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885ALDH1A1 1292/4885MAPT 3865/4885

“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.