SCHEMBL2491035

SCHEMBL2491035

CCCOc1cncc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
SCHEMBL4268041 0.87 GABRP (0.38) MAPTLMNAALDH1A1HTTATM
SCHEMBL2214251 0.83 AOC3 (0.39) MAPTLMNAALDH1A1GRM5SMN1; SMN2
SCHEMBL14300763 0.82 TSHR (0.39) LMNAALDH1A1ADORA2AKMT2ATSHR
SCHEMBL4437979 0.78 CDK2 (0.38) MAPTLMNAALDH1A1HTTATM
SCHEMBL4263969 0.77 CYP2D6 (0.42) MAPTLMNAALDH1A1GABRPGABRD
SCHEMBL17662616 0.74 NUDT1 (0.50) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL17662595 0.74 TSHR (0.36) LMNAALDH1A1HTTGABRPGABRD
SCHEMBL19121951 0.74 NUDT1 (0.39)
SCHEMBL12093742 0.72 GRM5 (0.48) MAPTLMNAALDH1A1HTTATM
SCHEMBL14300725 0.72 CHRM2 (0.33) ALDH1A1POLBGAAGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11504443-B2 Odor-modulating agent and odor-modulating method YAMAMOTO PERFUMERY CO., LTD. (JP) 2022-11-22 US claimed
US-11365370-B2 Fragrance compositions THE PROCTER & GAMBLE COMPANY (US) 2022-06-21 US claimed
CN-111565764-A Odor conversion agent for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating, and odor conversion method for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating 山本香料株式会社 2020-08-21 CN claimed
US-20190175777-A1 ODOR-MODULATING AGENT AND ODOR-MODULATING METHOD YAMAMOTO PERFUMERY CO., LTD. (JP) 2019-06-13 US claimed
EP-3467078-A1 ODOR-MODULATING AGENT AND ODOR-MODULATING METHOD Yamamoto Perfumery Co. Ltd. (JP) 2019-04-10 EP claimed
US-9949911-B2 Antiperspirant and deodorant compositions THE PROCTER & GAMBLE COMPANY (US) 2018-04-24 US claimed
US-20170312204-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS PROCTER & GAMBLE (US) 2017-11-02 US claimed
US-20170267944-A1 FRAGRANCE COMPOSITIONS PROCTER & GAMBLE (US) 2017-09-21 US claimed
EP-3139902-A2 FRAGRANCE COMPOSITIONS The Procter & Gamble Company (US) 2017-03-15 EP claimed
US-20150322376-A1 Fragrance Compositions THE PROCTER & GAMBLE COMPANY 2015-11-12 US claimed
CN-104837973-A Fragrance materials PROCTER & GAMBLE 2015-08-12 CN claimed
US-20140179722-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 US claimed
US-20140170101-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
WO-2014093819-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
US-20140170194-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
WO-2014093807-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
WO-2014093747-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 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 (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-20140170101-A1 Antiperspirant and Deodorant Compositions LPO, GPX4, DEK MAPT 1250/4885LMNA 3748/4885ALDH1A1 876/4885
US-20170312204-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS LPO, GPX4, DEK MAPT 1250/4885LMNA 3748/4885ALDH1A1 876/4885

“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.