SCHEMBL13343301

SCHEMBL13343301

CC(C)(C)c1cc(C(=O)O)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PDE10A Q9Y233 1/20 0.57
▸ DHODH Q02127 2/20 0.54
▸ POLB P06746 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49

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
SCHEMBL25737103 0.87 DHODH (0.55) KDM4ESMN1; SMN2LMNAPDE10ADHODH
SCHEMBL3041657 0.83 KDM4E (0.57) KDM4ESMN1; SMN2LMNAPDE10ADHODH
SCHEMBL10869696 0.81 KDM4E (0.55) KDM4ESMN1; SMN2LMNAPOLBNPC1
SCHEMBL26627263 0.81 ESR1 (0.48) KDM4ESMN1; SMN2DHODHPOLBMEN1
SCHEMBL10018550 0.80 DHODH (0.60) KDM4ESMN1; SMN2DHODHPOLBKMT2A
SCHEMBL25735933 0.80 RXFP1 (0.56) KDM4ESMN1; SMN2DHODHPOLBNPC1
SCHEMBL30595092 0.79 KDM4E (0.80) KDM4ESMN1; SMN2LMNAPDE10ADHODH
SCHEMBL374558 0.79 KDM4E (0.80) KDM4ESMN1; SMN2LMNAPDE10ADHODH
SCHEMBL29727188 0.77 L3MBTL1 (0.67) KDM4ESMN1; SMN2LMNAPDE10ADHODH
SCHEMBL1305492 0.77 L3MBTL1 (0.67) KDM4ESMN1; SMN2LMNAPDE10ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — US disclosed
US-20100113492-A1 Substituted Aminopyrimidines as Cholecystokinin-1 Receptor Modulators MERCK & CO., INC. (US) 2010-05-06 — — 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 (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-20100113492-A1 Substituted Aminopyrimidines as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GLP1R KDM4E 3052/4885SMN1; SMN2 4390/4885LMNA 4852/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS KDM4E 2788/4885SMN1; SMN2 3607/4885LMNA 4027/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 KDM4E 2301/4885SMN1; SMN2 3469/4885LMNA 1883/4885

“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.

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