SCHEMBL1471867

SCHEMBL1471867

CCOc1ncc(C)c(OCC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NUDT1 P36639 2/20 0.41
LRRK2 Q5S007 1/20 0.35
CYP1A2 P05177 2/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM5 P41594 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 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
SCHEMBL24348081 0.81 RXRA (0.40) KMT2AMEN1CYP1A2RXRAGRIN1
SCHEMBL3818616 0.79 MEN1 (0.45) KMT2AMEN1LRRK2CYP1A2POLB
SCHEMBL13211414 0.79 NUDT1 (0.38) NUDT1MAPTMAPK1HPGDSMN1; SMN2
SCHEMBL14983696 0.78 MEN1 (0.33) KMT2AMEN1NUDT1CYP1A2POLB
SCHEMBL18072298 0.78 NUDT1 (0.66) NUDT1KDM4E
SCHEMBL27036925 0.78 MEN1 (0.44) KMT2AMEN1LRRK2CYP1A2RXRA
SCHEMBL2723864 0.78 GAA (0.50) KMT2AMEN1LRRK2CYP1A2POLB
SCHEMBL10965929 0.76 MEN1 (0.42) KMT2AMEN1LRRK2CYP1A2POLB
SCHEMBL29953563 0.75 MEN1 (0.41) KMT2AMEN1CYP1A2MAPK1HPGD
SCHEMBL12409911 0.75 RXRA (0.41) KMT2AMEN1NUDT1CYP1A2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
EP-3353272-A1 PERFUME COMPOSITIONS Givaudan SA (CH) 2018-08-01 EP claimed
US-20180187123-A1 Perfume Compositions GIVAUDAN S.A. (CH) 2018-07-05 US claimed
CN-108138081-A Spice composition 奇华顿股份有限公司 2018-06-08 CN claimed
US-20180004875-A1 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2018-01-04 US claimed
US-20170333591-A9 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2017-11-23 US claimed
US-20170249407-A1 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2017-08-31 US claimed
US-20170249408-A1 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2017-08-31 US claimed
EP-3197508-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP claimed
EP-3197424-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP claimed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049394-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2015181257-A2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2015-12-03 WO claimed
EP-1061894-B1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS COLGATE PALMOLIVE CO (US) 2005-11-16 EP claimed
WO-2002039971-A2 FRAGRANCE ENHANCING COMPOSITIONS WITH NON-POLYCYCLICS COLGATE-PALMOLIVE COMPANY (US) 2002-05-23 WO claimed
EP-1061894-A1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS Colgate-Palmolive Company (US) 2000-12-27 EP claimed
WO-1999044575-A1 FRAGRANCE ENHANCING COMPOSITIONS FOR COSMETIC PRODUCTS COLGATE-PALMOLIVE COMPANY (US) 1999-09-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20170249408-A1 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions LPO, QDPR, TYR KMT2A 1352/4885MEN1 3913/4885NUDT1 1034/4885
US-20170249407-A1 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions LPO, QDPR, TYR KMT2A 1426/4885MEN1 3949/4885NUDT1 1068/4885
US-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS LPO, QDPR, TYR KMT2A 1352/4885MEN1 3913/4885NUDT1 1034/4885

“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.