SCHEMBL5185648

SCHEMBL5185648

[O]C(=O)C1CCCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD11B1 P28845 3/20 0.42
EPHX1 P07099 6/20 0.41
RECQL P46063 1/20 0.41
HSD11B2 P80365 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 1/20 0.39
MGLL Q99685 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL472301 1.00 CES2 (0.61) CES2CES1HDAC8HDAC6TSHR
SCHEMBL49329 1.00
SCHEMBL10012991 1.00 CES2 (0.61) CES2CES1HDAC8HDAC6TSHR
SCHEMBL304518 1.00 CES2 (0.61) CES2CES1HDAC8HDAC6TSHR
SCHEMBL501747 1.00 CES2 (0.61) CES2CES1HDAC8HDAC6TSHR
SCHEMBL49271 0.97
SCHEMBL965604 0.90
SCHEMBL49712 0.82
Bicarbonate SCHEMBL28260429 0.78 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11839162 0.76 CES2 (1.00) CES2CES1HDAC8HDAC6TSHR

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
EP-3892602-A1 METHOD FOR THE PREPARATION OF DEUTERATED OR TRITIATED COMPOUNDS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-10-13 EP disclosed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
EP-2822924-A1 METHOD FOR SYNTHESISING AMINOBIPHENYLS USING ARYL HYDRAZINES BASF SE (DE) 2015-01-14 EP disclosed
EP-2683682-A1 PROCESS FOR THE SYNTHESIS OF AMINOBIPHENYLENE BASF SE (DE) 2014-01-15 EP disclosed
US-20140001422-A1 COMPOSITION OF SILVER-CONJUGATED COMPOUND COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-02 US disclosed
US-20130338369-A1 Process for the Synthesis of Aminobiphenylene BASF SE (DE) 2013-12-19 US disclosed
WO-2013132006-A1 METHOD FOR SYNTHESISING AMINOBIPHENYLS USING ARYL HYDRAZINES Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2013-09-12 WO disclosed
EP-2546229-A1 Method for synthesising aminobiphenyls Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2013-01-16 EP disclosed
US-20070208165-A1 Process for the preparation of benzotriazoles FISCHER WALTER 2007-09-06 US disclosed
US-20040019220-A1 Process for the preparation of benzotriazoles CIBA SPECIALTY CHEMICALS CORP. 2004-01-29 US disclosed
CN-1461300-A Process for preparing benzotriazoles CIBA SC HOLDING AG (CH) 2003-12-10 CN disclosed
EP-1339700-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES Ciba SC Holding AG (CH) 2003-09-03 EP disclosed
WO-2002024668-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-28 WO disclosed
US-5932642-A Cyclic phosphinic acid derivatives as stabilizers CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
EP-0850946-A1 Cyclic phosphinic acid derivatives as stabilizers Ciba SC Holding AG (CH) 1998-07-01 EP disclosed
EP-0483851-B1 Pyrazolyl acrylic acid derivatives, intermediates thereto, and agricultural/horticultural fungicides containing said derivatives MITSUBISHI CHEM CORP (JP) 1996-03-13 EP disclosed
US-5128350-A PYRAZOLYL ACRYLIC ACID DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING SAID DERIVATIVES MITSUBISHI KASEI CORPORATION (JP) 1992-07-07 US disclosed
EP-0483851-A1 Pyrazolyl acrylic acid derivatives, intermediates thereto, and agricultural/horticultural fungicides containing said derivatives Mitsubishi Chemical Corporation (JP) 1992-05-06 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-20070208165-A1 Process for the preparation of benzotriazoles CBR1, CCNT1, CYP1B1 CES2 1169/4885CES1 2169/4885HDAC8 1096/4885
US-20130338369-A1 Process for the Synthesis of Aminobiphenylene DHPS, DDC, AASDHPPT CES2 1351/4885CES1 4088/4885HDAC8 3481/4885
US-20040019220-A1 Process for the preparation of benzotriazoles SULT1E1, SULT1A1, CYP1B1 CES2 792/4885CES1 1930/4885HDAC8 2098/4885

“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.