SCHEMBL2387845

SCHEMBL2387845

O=C1C=CC2=C(C1)Oc1cc(-c3ccccc3C(=O)O)ccc1C2c1ccc(Cc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 7/20 0.37
LTB4R Q15722 6/20 0.37
RARG P13631 5/20 0.34
RARB P10826 4/20 0.34
RARA P10276 5/20 0.32
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
AGTR1 P30556 1/20 0.31
F10 P00742 1/20 0.31
F11 P03951 1/20 0.31
F7 P08709 1/20 0.31
IKBKB O14920 2/20 0.30
PTPN11 Q06124 2/20 0.30
NR0B2 Q15466 1/20 0.30

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
SCHEMBL2403141 0.90 RARA (0.40) LTB4R2LTB4RRARGRARBRARA
SCHEMBL2387840 0.68 USP2 (0.45) LTB4R2LTB4RRARGRARBRARA
SCHEMBL9167076 0.66 RARB (0.60) RARGRARBRARAHDAC4HDAC7
SCHEMBL2392143 0.66 LTB4R (0.38) LTB4R2LTB4R
SCHEMBL381409 0.65 CYP2C9 (0.48) AGTR1KDM4EMEN1ALDH1A1TP53
SCHEMBL2227779 0.65 CYP2C9 (0.47) AGTR1KDM4EMEN1ALDH1A1TP53
SCHEMBL9165772 0.64 MCL1 (0.54) RARGRARBRARAHDAC11PTPN11
SCHEMBL8460548 0.62 RARB (0.56) LTB4R2LTB4RRARGRARBRARA
SCHEMBL8319268 0.62 MEN1 (0.68) RARGRARBRARAHDAC4HDAC7
SCHEMBL9078617 0.61 RARA (0.64) RARGRARBRARAHDAC1HDAC7

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-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 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-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 LTB4R2 1997/4885LTB4R 1694/4885RARG 403/4885

“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.