SCHEMBL6801600

SCHEMBL6801600

COCC1Oc2ccc(C(=O)O)cc2OC1COC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 3/20 0.40
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 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
SCHEMBL6802227 0.88 KDM4E (0.43) PTPN1ALDH1A1TSHRAKR1B1KDM4E
SCHEMBL10351289 0.82 PTPN1 (0.69) PTPN1ALDH1A1CA1CA2CA12
SCHEMBL10351288 0.82 PTPN1 (0.69) PTPN1ALDH1A1CA1CA2CA12
SCHEMBL10351287 0.82 PTPN1 (0.69) PTPN1ALDH1A1CA1CA2CA12
SCHEMBL6800337 0.79 ALDH1A1 (0.49) TDP1ALDH1A1MAPK1HTT
SCHEMBL30640313 0.79 ALDH1A1 (0.49) TDP1ALDH1A1MAPK1HTT
SCHEMBL30640308 0.79 ALDH1A1 (0.49) TDP1ALDH1A1MAPK1HTT
SCHEMBL3771417 0.76 TDP1 (0.56) PTPN1TDP1ALDH1A1MAPK1CA1
SCHEMBL26110866 0.75 PTPN1 (0.44) PTPN1TDP1ALDH1A1MAPK1CA1
SCHEMBL9334126 0.74 TDP1 (0.57) PTPN1TDP1ALDH1A1MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835735-B2 Anticancer, tyrosine kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-12-28 US disclosed
US-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-03-06 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 (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-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same EGFR, ERBB2, ERBB4 PTPN1 596/4885TDP1 1053/4885ALDH1A1 2951/4885

“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.