SCHEMBL386172

SCHEMBL386172

[CH2]CSc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 2/20 0.36
FFAR1 O14842 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
KIF11 P52732 3/20 0.31
KCNN4 O15554 1/20 0.31

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
SCHEMBL94588 0.79
SCHEMBL4444863 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ATSHRL3MBTL1
SCHEMBL16893842 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1TSHRFFAR1L3MBTL1
SCHEMBL2376871 0.76 HRH3 (0.45) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL9846771 0.74 KCNN4 (0.50) ALDH1A1MAPK1TSHRCYP1A2CYP3A4
SCHEMBL230628 0.71 KCNN4 (0.53) ALDH1A1MAPK1TSHRCYP1A2CYP3A4
Bromide SCHEMBL31591135 0.68 KCNN4 (0.50) ALDH1A1MAPK1TSHRCYP1A2CYP3A4
SCHEMBL29554666 0.68 KCNN4 (0.50) ALDH1A1MAPK1TSHRCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL30101973 0.68 KCNN4 (0.50) ALDH1A1MAPK1TSHRCYP1A2CYP3A4
SCHEMBL2748415 0.67 TSHR (0.78) ALDH1A1MAPK1NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-10351581-B2 Phosphohistidine mimetics and antibodies to same THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-07-16 US disclosed
US-20190092796-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2019-03-28 US disclosed
US-9765154-B2 Phosphohistidine analogs THE ROCKEFELLER UNIVERSITY (US) 2017-09-19 US disclosed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US disclosed
US-20160311838-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-27 US disclosed
US-20150344589-A1 PHOSPHOHISTIDINE ANALOGS THE ROCKEFELLER UNIVERSITY (US) 2015-12-03 US disclosed
US-9035068-B2 Phosphohistidine analogs THE ROCKEFELLER UNIVERSITY (US) 2015-05-19 US disclosed
WO-2015051079-A2 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-04-09 WO disclosed
US-20140367101-A1 Protected Scale Inhibitors and Methods Relating Thereto HALLIBURTON ENERGY SERVICES, INC. 2014-12-18 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed
US-6492075-B1 COATING WITH CLEAVING COMPOUND TO CONTROLLABLY DECREASE SIZE OF DEVELOPED RESIST ADVANCED MICRO DEVICES, INC. 2002-12-10 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 (9 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-20190092796-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME PHPT1, CD4, CD81 ALDH1A1 4230/4885MAPK1 1989/4885NPC1 4743/4885
US-20150344589-A1 PHOSPHOHISTIDINE ANALOGS PHPT1, PTMS, CHAMP1 ALDH1A1 4168/4885MAPK1 364/4885NPC1 4702/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT ALDH1A1 945/4885MAPK1 124/4885NPC1 4382/4885
US-20160311838-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME PHPT1, CD4, HCLS1 ALDH1A1 4535/4885MAPK1 1713/4885NPC1 4800/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 ALDH1A1 2821/4885MAPK1 2132/4885NPC1 1364/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB ALDH1A1 582/4885MAPK1 1022/4885NPC1 1745/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 ALDH1A1 1443/4885MAPK1 148/4885NPC1 4117/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A ALDH1A1 898/4885MAPK1 139/4885NPC1 4240/4885
US-10351581-B2 Phosphohistidine mimetics and antibodies to same PHPT1, CD4, HCLS1 ALDH1A1 4535/4885MAPK1 1713/4885NPC1 4800/4885

“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.