SCHEMBL6204953

SCHEMBL6204953

COc1ccc2c(OCc3ccccc3)cc(C(=O)O)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.61
MRGPRX4 Q96LA9 6/20 0.54
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 1/20 0.51
RXRA P19793 1/20 0.51
MTNR1B P49286 2/20 0.51
MTNR1A P48039 2/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL25721332 0.90 HPGD (0.54) P2RY14MRGPRX4RAB9ASMN1; SMN2HDAC8
SCHEMBL6206631 0.87 MAOB (0.51) P2RY14MRGPRX4MEN1KMT2ARAB9A
SCHEMBL2932687 0.84 P2RY14 (0.60) P2RY14MRGPRX4LTB4RLTB4R2MEN1
SCHEMBL30696120 0.83 MRGPRX4 (0.66) P2RY14MRGPRX4MEN1KMT2ARAB9A
SCHEMBL6959477 0.83 MRGPRX4 (0.66) P2RY14MRGPRX4MEN1KMT2ARAB9A
SCHEMBL8130175 0.79 MRGPRX4 (0.55) P2RY14MRGPRX4MEN1KMT2ANR4A1
SCHEMBL18397139 0.79 RXRA (0.59) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11762649 0.78 RXRA (0.61) MRGPRX4MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2990559 0.78 KDM4E (0.57) MRGPRX4RAB9ASMN1; SMN2HDAC8KDM4E
SCHEMBL29375765 0.78 KDM4E (0.57) MRGPRX4RAB9ASMN1; SMN2HDAC8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118961-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-29 WO disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 US disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 US disclosed
EP-0888301-B1 MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 2005-08-10 EP disclosed
EP-0888301-A4 MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 2002-05-08 EP disclosed
US-5985908-A MCBI (7-METHOXY-1,2,9A-TETRA-HYDROCYCLOPROPA(C)BENZ(E)INDOL-4-ONE) IS EMPLOYABLE AS A DNA ALKYLATING AGENT AND CAN BE INCORPORATED INTO ANALOGS OF CC-1065 AND THE DUOCARMYCINS FOR THE SCRIPPS RESEARCH INSTITUTE (US) 1999-11-16 US disclosed
EP-0888301-A1 MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS The Scripps Research Institute (US) 1999-01-07 EP disclosed
WO-1997032850-A1 MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-09-12 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 P2RY14 3175/4885MRGPRX4 751/4885LTB4R 1082/4885

“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.