SCHEMBL6150987

SCHEMBL6150987

COc1cc(C)ccc1Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.63
TTR P02766 3/20 0.60
L3MBTL1 Q9Y468 6/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
AR P10275 3/20 0.54
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
NTRK1 P04629 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
NTRK2 Q16620 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9472492 0.92 ACHE (0.63) ACHETTRL3MBTL1ALDH1A1MAPK1
SCHEMBL13799708 0.90 TTR (0.47) ACHETTRL3MBTL1ALDH1A1MAPK1
SCHEMBL17258622 0.88 ACHE (0.68) ACHETTRL3MBTL1ALDH1A1MAPK1
SCHEMBL11784875 0.82 CA12 (0.65) TTRL3MBTL1ALDH1A1MAPK1HTT
SCHEMBL9923550 0.81 L3MBTL1 (0.49) ACHETTRL3MBTL1ALDH1A1MAPT
SCHEMBL16118592 0.80 MAPT (0.53) TTRL3MBTL1ALDH1A1ARMAPT
SCHEMBL822665 0.80 TSHR (0.50) ACHEALDH1A1HTTHPGDCYP2C9
SCHEMBL8484975 0.80 NTRK1 (0.48) ALDH1A1HTTHPGDNTRK1IGF1R
SCHEMBL30695769 0.80 TSHR (0.50) ACHEALDH1A1HTTHPGDCYP2C9
SCHEMBL12770846 0.80 ALDH1A1 (0.55) ACHETTRL3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
EP-0727141-B1 Fungicidal methods, compounds and compositions containing benzophenones BASF AG (DE) 2005-11-02 EP disclosed
US-5922919-A Fungicidal methods, compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
US-5866722-A Fungicidal methods compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-02-02 US disclosed
US-5773663-A FOR CONTROL OF PHYTOPATHOGENIC FUNGI IN CROPS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 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 (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-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC ACHE 4350/4885TTR 2965/4885L3MBTL1 3406/4885
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KRAS, NRAS, RASSF5 ACHE 4090/4885TTR 2830/4885L3MBTL1 3403/4885
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ACHE 2600/4885TTR 4320/4885L3MBTL1 2261/4885

“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.