SCHEMBL882872

SCHEMBL882872

CC(C)(C)c1cc(C=O)c(O)c(CCCO)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
HIF1A Q16665 1/20 0.38
ERN1 O75460 7/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CDK1 P06493 1/20 0.31
MCL1 Q07820 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
SCHEMBL15151739 0.88 CYP2C19 (0.39) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL29483187 0.87 CYP2C19 (0.40) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL882862 0.87 CYP2C19 (0.38) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL874965 0.87 CYP2C19 (0.40) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL18218315 0.84 CYP2C19 (0.43) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL1228603 0.82 CYP2C19 (0.44) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL20810235 0.80 CYP2C19 (0.42) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL16119877 0.80 CYP2C19 (0.42) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL16119867 0.80 CYP2C19 (0.44) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL6565818 0.79 CYP2C19 (0.47) CYP2C19CYP1A2CYP2D6CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618662-B1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES SAUDI ARAMCO TECH CO (SA) 2019-11-06 EP disclosed
US-10442816-B2 Synthesis of substituted salicylaldehyde derivatives SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2019-10-15 US disclosed
US-10040800-B2 Synthesis of substituted salicylaldehyde derivatives SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-08-07 US disclosed
US-10040800-B2 Synthesis of substituted salicylaldehyde derivatives SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-08-07 US disclosed
US-20160257695-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-09-08 US disclosed
US-20160257695-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-09-08 US disclosed
US-9371334-B2 Synthesis of substituted salicylaldehyde derivatives NOVOMER, INC. (US) 2016-06-21 US 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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 CYP2C19 2339/4885CYP1A2 1013/4885CYP2D6 770/4885
US-10442816-B2 Synthesis of substituted salicylaldehyde derivatives ADSL, ALDH3A1, SUCLA2 CYP2C19 2339/4885CYP1A2 1013/4885CYP2D6 770/4885
US-10040800-B2 Synthesis of substituted salicylaldehyde derivatives ADSL, ALDH3A1, SUCLA2 CYP2C19 2339/4885CYP1A2 1013/4885CYP2D6 770/4885
US-20150011761-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES ADSL, ALDH3A1, SUCLA2 CYP2C19 2339/4885CYP1A2 1013/4885CYP2D6 770/4885
US-20130197223-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES ADSL, ALDH3A1, SUCLA2 CYP2C19 2339/4885CYP1A2 1013/4885CYP2D6 770/4885

“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.