SCHEMBL25735933

SCHEMBL25735933

CC(C)(C)c1cc(C(=O)O)c2cc(Br)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.53
▸ PPARG P37231 4/20 0.53
▸ NCOR2 Q9Y618 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ DHODH Q02127 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ POLB P06746 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ NR4A1 P22736 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ ESR1 P03372 1/20 0.51
▸ PLA2G1B P04054 1/20 0.51

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
SCHEMBL16832490 0.85 NT5E (0.63) RXFP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL26627263 0.83 ESR1 (0.48) MEN1KMT2AALDH1A1KDM4EDHODH
SCHEMBL10018550 0.82 DHODH (0.60) KMT2AALDH1A1KDM4EDHODHL3MBTL1
SCHEMBL11669167 0.80 ALDH1A1 (0.71) RXFP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL13343301 0.80 KDM4E (0.57) MEN1KMT2ANPC1KDM4EDHODH
SCHEMBL13919569 0.78 RXFP1 (0.57) RXFP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL5015458 0.78 RXFP1 (0.57) RXFP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL30120604 0.78 RXFP1 (0.57) RXFP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL31266680 0.76 DHODH (0.62) RXFP1MEN1KMT2ANPC1ALDH1A1
SCHEMBL16833549 0.76 DHODH (0.64) RXFP1MEN1KMT2ANPC1ALDH1A1

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-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

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

For each of this compound's patents that has machine-readable text (2 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS RXFP1 4832/4885MEN1 3675/4885KMT2A 2272/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 RXFP1 4436/4885MEN1 3627/4885KMT2A 1636/4885

“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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