SCHEMBL1199891

SCHEMBL1199891

CCCCCOc1ccc(C(=O)OCC)cc1OCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.56
HSD17B2 P37059 1/20 0.54
CNR2 P34972 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
SLC6A2 P23975 1/20 0.51
SCN1A P35498 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL1201551 0.98 SMPD1 (0.58) SMPD1HSD17B2THRATHRBPDE4B
SCHEMBL8358255 0.95 CYP1A2 (0.55) SMPD1HSD17B2CA12CA1CA2
SCHEMBL13529207 0.93 SMPD1 (0.56) SMPD1HSD17B2CNR2POLBCASP6
SCHEMBL8085911 0.92 NPC1 (0.59) SMPD1CYP1A2CYP2D6TSHRSLC6A2
SCHEMBL29171425 0.92 THRA (0.62) SMPD1HSD17B2POLBTHRATHRB
SCHEMBL29171428 0.92 THRA (0.62) SMPD1HSD17B2POLBTHRATHRB
SCHEMBL29171409 0.92 THRA (0.62) SMPD1HSD17B2POLBTHRATHRB
SCHEMBL29171436 0.92 THRA (0.62) SMPD1HSD17B2POLBTHRATHRB
SCHEMBL2308139 0.92 THRA (0.62) SMPD1HSD17B2POLBTHRATHRB
SCHEMBL11245624 0.92 THRA (0.62) SMPD1HSD17B2POLBTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253634-A9 LIQUID PORPHYRIN DERIVATIVE AND METHOD FOR PRODUCING THE SAME Dai Nippon Printing Co., Ltd. (JP) 2011-06-01 EP disclosed
US-20110046366-A1 LIQUID PORPHYRIN DERIVATIVE, AND METHOD FOR PRODUCING THE SAME DAI NIPPON PRINTING CO., LTD. (JP) 2011-02-24 US disclosed
EP-2253634-A1 LIQUID PORPHYRIN DERIVATIVE AND METHOD FOR PRODUCING THE SAME Dai Nippon Printing Co., Ltd. (JP) 2010-11-24 EP 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-20110046366-A1 LIQUID PORPHYRIN DERIVATIVE, AND METHOD FOR PRODUCING THE SAME PPOX, OR10J3, ORC3 SMPD1 4848/4885HSD17B2 750/4885CNR2 3977/4885

“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.