SCHEMBL8060229

SCHEMBL8060229

C=CCc1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
XDH P47989 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HPGD P15428 2/20 0.42
CNR2 P34972 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH2 P05091 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL10597514 0.88 CYP3A4 (0.43) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL17444458 0.86 MEN1 (0.46) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL474925 0.84 ALDH1A1 (0.57) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL318129 0.82 MAOB (0.57) CYP3A4MEN1KMT2ATDP1L3MBTL1
Hydrogen Peroxide SCHEMBL7816450 0.82 ALDH1A1 (0.58) CYP3A4MEN1KMT2ATDP1L3MBTL1
Hydrogen Peroxide SCHEMBL5496256 0.82 ALDH1A1 (0.58) CYP3A4MEN1KMT2ATDP1L3MBTL1
Allylbenzene SCHEMBL2478260 0.79 MAOB (0.60) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
Allylbenzene SCHEMBL21274 0.79
Allylbenzene SCHEMBL10325179 0.79 MAOB (0.60) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
Phenol SCHEMBL9577264 0.78 XDH (0.52) CYP3A4MEN1KMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102686777-A Process for sintering nanoparticles at low temperatures YISSUM RES DEV CO 2012-09-19 CN claimed
EP-0864564-A1 Method for the preparation of alpha-bromolactam derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP claimed
EP-2953918-B1 ALKYL TRITYL PHENYL ETHERS ROHM & HAAS (US) 2018-07-25 EP disclosed
CN-105579427-B Alkyl trityl phenyl ethers 罗门哈斯公司 2017-06-06 CN disclosed
US-9587187-B2 Alkyl trityl phenyl ethers DOW GLOBAL TECHNOLOGIES LLC (US) 2017-03-07 US disclosed
CN-105579427-A Alkyl trityl phenyl ethers ROHM & HAAS 2016-05-11 CN disclosed
US-20160040082-A1 ALKYL TRITYL PHENYL ETHERS ROHM AND HAAS COMPANY (US) 2016-02-11 US disclosed
EP-2953918-A1 ALKYL TRITYL PHENYL ETHERS Dow Global Technologies LLC (US) 2015-12-16 EP disclosed
WO-2014165776-A1 ALKYL TRITYL PHENYL ETHERS ANGUS CHEMICAL COMPANY (US) 2014-10-09 WO disclosed
CN-102686777-A Process for sintering nanoparticles at low temperatures YISSUM RES DEV CO 2012-09-19 CN disclosed
CN-101233137-A Macrocylic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-30 CN disclosed
US-6114541-A Method for the preparation of α-Bromo-Lactam derivatives HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0864564-A1 Method for the preparation of alpha-bromolactam derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP 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-20160040082-A1 ALKYL TRITYL PHENYL ETHERS ALK, KCNQ1, KCNH3 CYP3A4 811/4885MEN1 1261/4885KMT2A 166/4885

“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.