SCHEMBL6172985

SCHEMBL6172985

CC(C)(C)c1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.53
ESR1 P03372 5/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
BTK Q06187 2/20 0.46
SERPINE1 P05121 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TYR P14679 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ENPP2 Q13822 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DEGS1 O15121 1/20 0.43
NR1H4 Q96RI1 3/20 0.42
PPARG P37231 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6172921 0.86 ESR1 (0.56) DHPSESR1MAPK11MAPK14BTK
SCHEMBL6171008 0.81 DHPS (0.46) DHPSESR1MAPK11MAPK14BTK
SCHEMBL13483891 0.79 ESR1 (0.76) DHPSESR1BTKNPC1RAB9A
SCHEMBL6170844 0.79 SERPINE1 (0.48) DHPSSERPINE1ALDH1A1KDM4EHPGD
SCHEMBL6170659 0.79 DHPS (0.45) DHPSSERPINE1ALDH1A1KDM4EDEGS1
SCHEMBL6172764 0.78 NR1H4 (0.64) DHPSESR1BTKNR1H4PPARG
SCHEMBL7374264 0.77 DHPS (0.42) DHPSESR1MAPK11MAPK14BTK
SCHEMBL6167952 0.77 DHPS (0.55) DHPSESR1MAPK11MAPK14BTK
SCHEMBL6169846 0.74 ESR1 (0.55) DHPSESR1BTKNR1H4PPARG
SCHEMBL6170045 0.74 ESR1 (0.54) DHPSESR1BTKALDH1A1HPGD

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
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 DHPS 274/4885ESR1 4237/4885MAPK11 239/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 DHPS 274/4885ESR1 4237/4885MAPK11 239/4885

“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.