SCHEMBL21786586

SCHEMBL21786586

CCOC(=O)c1cc(=O)c2ccc(O)c(I)c2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.60
MAOB P27338 3/20 0.52
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
SLC2A1 P11166 1/20 0.48
GPR35 Q9HC97 1/20 0.47
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.42
ERN1 O75460 1/20 0.42
MAOA P21397 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9174879 0.82 AKR1B1 (0.57) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL7633152 0.82 AKR1B1 (0.59) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL5730411 0.81 AKR1B1 (0.56) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL11534173 0.80 MAPK1 (0.56) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8044054 0.79 AKR1B1 (0.59) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8106509 0.77 AKR1B1 (0.56) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL8827768 0.76 AKR1B1 (0.55) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL22617428 0.76 MAOB (0.61) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL19744202 0.76 AKR1B1 (0.58) AKR1B1MAOBTP53THRBSLC2A1
SCHEMBL19744184 0.75 AKR1B1 (0.54) AKR1B1MAOBTP53THRBSLC2A1

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
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 AKR1B1 3163/4885MAOB 3099/4885TP53 5/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 AKR1B1 3163/4885MAOB 3099/4885TP53 5/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 AKR1B1 3163/4885MAOB 3099/4885TP53 5/4885

“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.