SCHEMBL883376

SCHEMBL883376

CCCCOCCC(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 5/20 0.54
CYP3A4 P08684 1/20 0.43
CES2 O00748 3/20 0.42
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
DGKA P23743 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 2/20 0.38
RARB P10826 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL17059047 0.98 ALDH1A1 (0.56) ALDH1A1TP53TSHRCYP3A4CES2
SCHEMBL8465387 0.91 TSHR (0.61) ALDH1A1TP53TSHRCES2MEN1
SCHEMBL8877230 0.91 TSHR (0.61) ALDH1A1TP53TSHRCES2MEN1
SCHEMBL5165951 0.91 TSHR (0.61) ALDH1A1TP53TSHRCES2MEN1
SCHEMBL11688123 0.91 TSHR (0.61) ALDH1A1TP53TSHRCES2MEN1
SCHEMBL27272346 0.91 TSHR (0.64) ALDH1A1TP53TSHRCYP3A4CES2
SCHEMBL13986867 0.87 TSHR (0.68) ALDH1A1TP53TSHRCES2MEN1
SCHEMBL15883090 0.86
SCHEMBL26312626 0.84 TSHR (0.52) ALDH1A1TP53TSHRCYP3A4CES2
SCHEMBL26247220 0.84 TSHR (0.52) ALDH1A1TP53TSHRCYP3A4CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113388007-A Ultra-pure agonists of guanylate cyclase C, methods of making and using the same 博士医疗爱尔兰有限公司 2021-09-14 CN disclosed
CN-105764916-B Ultra-pure agonists of guanylate cyclase C, methods of making and using the same 博士医疗爱尔兰有限公司 2021-05-18 CN disclosed
US-20160257695-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-09-08 US disclosed
CN-102858361-B Agonists of guanylate cyclase for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstones, obesity and other cardiovascular diseases 药物协和股份有限公司 2016-08-03 CN disclosed
US-9371334-B2 Synthesis of substituted salicylaldehyde derivatives NOVOMER, INC. (US) 2016-06-21 US disclosed
US-20150011761-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2015-01-08 US disclosed
US-8859822-B2 Synthesis of substituted salicylaldehyde derivatives NOVOMER, INC. (US) 2014-10-14 US disclosed
US-20130197223-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES NOVOMER, INC. (US) 2013-08-01 US disclosed
WO-2012040454-A2 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES NOVOMER, INC. (US) 2012-03-29 WO disclosed
CN-100503600-C Heterocyclic pesticides BAYER CROPSCIENCE AG (DE) 2009-06-24 CN disclosed
CN-101070317-A Heterocyclic derivatives, composition containing same and method for pests control FMC CORP (US) 2007-11-14 CN disclosed
CN-1692108-A Heterocyclic pesticides FMC CORP (US) 2005-11-02 CN 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-20160257695-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES ADSL, ALDH3A1, SUCLA2 ALDH1A1 55/4885TP53 2595/4885TSHR 3971/4885
US-20150011761-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES ADSL, ALDH3A1, SUCLA2 ALDH1A1 55/4885TP53 2595/4885TSHR 3971/4885
US-20130197223-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES ADSL, ALDH3A1, SUCLA2 ALDH1A1 55/4885TP53 2595/4885TSHR 3971/4885

“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.