SCHEMBL14870786

SCHEMBL14870786

O=COCc1ccccc1-c1cc2cc3sc(-c4ccccc4CC(=O)O)cc3cc2s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.38
PTGER4 P35408 4/20 0.38
PTGER3 P43115 4/20 0.38
PTGER2 P43116 4/20 0.38
ENPP2 Q13822 1/20 0.35
AKR1B1 P15121 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRC P12931 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
IKBKB O14920 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
S1PR4 O95977 2/20 0.32
S1PR5 Q9H228 2/20 0.32
TNFRSF1A P19438 1/20 0.32

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
SCHEMBL14873478 0.87 AKR1B1 (0.44) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL4049432 0.78 BCL2L1 (0.46) AKR1B1TDP1IKBKBS1PR4S1PR5
SCHEMBL27149766 0.77 AKR1B1 (0.48) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL14873476 0.75 NPC1 (0.41) TDP1
SCHEMBL14870790 0.73 TDP1 (0.39) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL14870787 0.72 NPC1 (0.39) TDP1S1PR4S1PR5
SCHEMBL18049807 0.70 GPR35 (0.44) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL19248495 0.68 TDP1 (0.50) AKR1B1TDP1SRCCAMK2A
SCHEMBL14645404 0.67 AKR1B1 (0.43) PTGER1PTGER4PTGER3PTGER2ENPP2
SCHEMBL14870798 0.67 CCNC (0.43) PTGER1PTGER4PTGER3PTGER2CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130095605-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2013-04-18 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 (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-20130095605-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI ELECTRON CONJUGATED COMPOUND THEM6, ORMDL3, INTS6 PTGER1 4021/4885PTGER4 2802/4885PTGER3 3749/4885

“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.