SCHEMBL4719013

SCHEMBL4719013

CCCCNC(CCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 3/20 0.36
PLA2G2C Q5R387 1/20 0.35
DNM1 Q05193 2/20 0.35
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL5349650 0.95 SIGMAR1 (0.43) SIGMAR1TSHREPHX1ALDH1A1CYP3A4
SCHEMBL18780555 0.91 EPHX1 (0.48) SIGMAR1TSHRPLA2G2CDNM1EPHX1
SCHEMBL11303019 0.91 EPHX1 (0.42) SIGMAR1TSHRPLA2G2CDNM1EPHX1
SCHEMBL20798577 0.90 DNM1 (0.40) SIGMAR1TSHRPLA2G2CDNM1EPHX1
SCHEMBL26220887 0.90 DNM1 (0.40) SIGMAR1TSHRPLA2G2CDNM1EPHX1
SCHEMBL4788577 0.90 DNM1 (0.38) SIGMAR1TSHRPLA2G2CDNM1EPHX1
SCHEMBL28177813 0.88 EPHX1 (0.44) TSHRPLA2G2CDNM1EPHX1ALDH1A1
SCHEMBL11897245 0.87 EPHX1 (0.48) SIGMAR1TSHRPLA2G2CDNM1EPHX1
SCHEMBL16649216 0.87 EPHX1 (0.42) TSHRPLA2G2CDNM1EPHX1ALDH1A1
SCHEMBL11897547 0.87 SIGMAR1 (0.46) SIGMAR1TSHRDNM1EPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127011-A1 PLASTIC SUBSTRATE & METHOD OF REMOVING A MARK OR IMAGE THEREFROM DATALASE LTD. (GB) 2024-06-20 WO disclosed
US-20160257695-A1 SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-09-08 US disclosed
EP-1966200-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-09-10 EP disclosed
WO-2007077949-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-07-12 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 (1 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 SIGMAR1 4883/4885TSHR 3971/4885PLA2G2C 2992/4885

“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.