SCHEMBL7963533

SCHEMBL7963533

CC(=O)OCc1[nH]c(C(=O)OCc2ccccc2)c(C)c1C(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.73
NPC1 O15118 4/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
MAPK1 P28482 3/20 0.73
KMT2A Q03164 1/20 0.60
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
STAT1 P42224 1/20 0.55
ALDH1A1 P00352 4/20 0.55
ATM Q13315 3/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.48

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
SCHEMBL12031703 0.89 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL12031680 0.86 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL8909412 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL7690719 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL12031737 0.83 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL7962367 0.83 HPGD (0.55) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL1651601 0.81 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL5838513 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL12031697 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL9423226 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPK1KMT2A

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
US-8026358-B2 Coupling (2-iodo-3-methyl-5-pyrrolyl)(2-iodo-4-methyl-5-pyrrolyl)methane or derivative with bis(2-formyl-3-methyl-4-(2-alkoxycarbonylethyl)4-pyrrolyl)methane in an acidic medium with optiona hydrolsis or saponification; preparing heme, hemin or hematin SANOFI PASTEUR S.A. (FR) 2011-09-27 US disclosed
US-20080242857-A1 Coupling (2-iodo-3-methyl-5-pyrrolyl)(2-iodo-4-methyl-5-pyrrolyl)methane or derivative with bis(2-formyl-3-methyl-4-(2-alkoxycarbonylethyl)4-pyrrolyl)methane in an acidic medium with optiona hydrolsis or saponification; preparing heme, hemin or hematin SANOFI PASTEUR SA (FR) 2008-10-02 US disclosed
US-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed
EP-0807113-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS University College Cardiff Consultants Limited (GB) 1997-11-19 EP disclosed
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed
WO-1995021171-A1 TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1995-08-10 WO disclosed
EP-0651750-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-10 EP disclosed
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 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-20080242857-A1 Coupling (2-iodo-3-methyl-5-pyrrolyl)(2-iodo-4-methyl-5-pyrrolyl)methane or derivative with bis(2-formyl-3-methyl-4-(2-alkoxycarbonylethyl)4-pyrrolyl)methane in an acidic medium with optiona hydrolsis or saponification; preparing heme, hemin or hematin MB, CYC1, MDN1 RAB9A 3893/4885NPC1 4116/4885SMN1; SMN2 3243/4885

“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.