SCHEMBL3073246

SCHEMBL3073246

CCC(O)([CH]c1ccccc1)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RELA Q04206 1/20 0.39
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 1/20 0.34
TRPA1 O75762 1/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 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
SCHEMBL27995017 0.77 KDM4E (0.37) MEN1KMT2AALDH1A1L3MBTL1CYP2C9
SCHEMBL27671635 0.77 PTGS1 (0.47) RELAALDH1A1L3MBTL1GLACYP1A2
SCHEMBL27671624 0.76 CYP2C9 (0.48) ALDH1A1TSHRTRPA1TDP1CYP3A4
SCHEMBL27336315 0.74 MEN1 (0.38) MEN1KMT2ARELAALDH1A1TSHR
SCHEMBL10519823 0.74 RELA (0.36) MEN1KMT2ARELANR1I2ALDH1A1
SCHEMBL17629414 0.73 CYP2C19 (0.41) ALDH1A1TSHRNPC1L3MBTL1AKR1C3
SCHEMBL6130600 0.73 CYP2C19 (0.41) ALDH1A1TSHRNPC1L3MBTL1AKR1C3
SCHEMBL8474272 0.71 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL14910749 0.71 KCNN4 (0.39) MEN1KMT2ARELAALDH1A1TSHR
SCHEMBL5934049 0.70 RELA (0.41) MEN1KMT2ARELANR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101098878-B Monophosphine compounds, transition metal complexes thereof and preparation of optically active compounds using the complexes as asymmetric catalysts SUMITOMO CHEMICAL CO 2013-10-16 CN disclosed
CN-102076653-A Process for producing optically active amine compound SUMITOMO CHEMICAL CO 2011-05-25 CN disclosed
US-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
CN-101098878-A Monophosphine compounds, transition metal complexes thereof and preparation of optically active compounds using the complexes as asymmetric catalysts ERICK M CARREIRA (JP) 2008-01-02 CN disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 US 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 (1 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 MEN1 444/4885KMT2A 2019/4885RELA 984/4885

“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.