SCHEMBL6313682

SCHEMBL6313682

COc1cc(CNN)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 1/20 0.62
GLA P06280 1/20 0.62
FOS P01100 1/20 0.57
TTR P02766 1/20 0.57
JUN P05412 1/20 0.57
NR3C1 P04150 1/20 0.57
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57
ALDH1A1 P00352 3/20 0.56
ALOX5 P09917 2/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 2/20 0.56
NFKB1 P19838 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTPN1 P18031 1/20 0.56
AR P10275 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL5833247 0.85 TAAR1 (0.62) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL11969383 0.85 TAAR1 (0.62) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL7739503 0.84 TAAR1 (0.61) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL4612057 0.84 TAAR1 (0.61) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL6887289 0.83 CA2 (0.61) LMNAALDH1A1GAATDP1KDM4E
SCHEMBL30454153 0.83 CA2 (0.61) LMNAALDH1A1GAATDP1KDM4E
SCHEMBL7768865 0.82 FOS (0.62) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9885364 0.82 FOS (0.62) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL13219152 0.82 PTPN1 (0.60) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL5889475 0.82 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168050-B2 Efficient synthesis of amines and amides from alcohols and aldehydes by using cascade catalysis XP CHEMISTRIES AB (SE) 2021-11-09 US disclosed
CN-103751943-B Fire extinguishing composition containing nitrogen-containing organic compound 湖北及安盾消防科技有限公司 2020-10-13 CN disclosed
EP-3122715-B1 EFFICIENT SYNTHESIS OF AMINES AND AMIDES FROM ALCOHOLS AND ALDEHYDES BY USING CASCADE CATALYSIS ORGANOFUEL SWEDEN AB (SE) 2019-05-01 EP disclosed
US-20170174618-A1 EFFICIENT SYNTHESIS OF AMINES AND AMIDES FROM ALCOHOLS AND ALDEHYDES BY USING CASCADE CATALYSIS XP CHEMISTRIES AB (SE) 2017-06-22 US disclosed
EP-3122715-A1 EFFICIENT SYNTHESIS OF AMINES AND AMIDES FROM ALCOHOLS AND ALDEHYDES BY USING CASCADE CATALYSIS Córdova, Armando (SE) 2017-02-01 EP disclosed
WO-2015144902-A1 EFFICIENT SYNTHESIS OF AMINES AND AMIDES FROM ALCOHOLS AND ALDEHYDES BY USING CASCADE CATALYSIS CÓRDOVA ARMANDO (SE) 2015-10-01 WO disclosed
US-20050058729-A1 Treatment for bacterial infections and related disorders STAGGS JEFF J (US) 2005-03-17 US disclosed
US-6759064-B2 ADMINISTERING TO A MAMMAL A COMPOSITION COMPRISING TEA CATECHINS AND VANILLOIDS, IN AMOUNTS EFFECTIVE FOR THERAPY AND PROPHYLAXIS OF CANCER PURDUE RESEARCH FOUNDATION 2004-07-06 US disclosed
US-6593371-B1 Treatment for wart and related disorders STAGGS JEFF J (US) 2003-07-15 US disclosed
US-20030072821-A1 Compositions based on vanilloid-catechin synergies for prevention and treatment of cancer PURDUE RESEARCH FOUNDATION 2003-04-17 US disclosed
US-6063381-A THERAPY FOR DEEP TISSUE OR FUNGICIDE STAGGS JEFF J (US) 2000-05-16 US disclosed
WO-1993023061-A1 THERAPEUTIC USES OF PUNGENT BOTANICALS AND THEIR RELATED COMPOUNDS STAGGS JEFF J (US) 1993-11-25 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 (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-20170174618-A1 EFFICIENT SYNTHESIS OF AMINES AND AMIDES FROM ALCOHOLS AND ALDEHYDES BY USING CASCADE CATALYSIS ADH5, ADH1A, ADH1C TAAR1 351/4885TSHR 4756/4885MAPK1 2879/4885
US-11168050-B2 Efficient synthesis of amines and amides from alcohols and aldehydes by using cascade catalysis ADH5, ADH1A, ADH1C TAAR1 351/4885TSHR 4756/4885MAPK1 2879/4885

“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.