SCHEMBL733145

SCHEMBL733145

CCOc1c[c]cc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TTK P33981 1/20 0.42
RELA Q04206 2/20 0.42
NQO1 P15559 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL732632 0.81 CYP1A1 (0.45) LTA4HKDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL28166768 0.80 RXRA (0.53) RXRARXRBLTA4HKDM4EHPGD
SCHEMBL203120 0.79 RXRA (0.70) RXRARXRBLTA4HKDM4ESMN1; SMN2
SCHEMBL30338775 0.79 RXRA (0.70) RXRARXRBLTA4HKDM4ESMN1; SMN2
SCHEMBL907784 0.77 NQO1 (0.52) LTA4HKDM4EHPGDSMN1; SMN2TP53
SCHEMBL730846 0.76 RXRA (0.47) RXRARXRBSMN1; SMN2TP53ALDH1A1
SCHEMBL30167681 0.76 LTA4H (0.68) LTA4HKDM4EHPGDSMN1; SMN2TP53
SCHEMBL12726668 0.76 LTA4H (0.68) LTA4HKDM4EHPGDSMN1; SMN2TP53
SCHEMBL9152440 0.76 LTA4H (0.68) LTA4HKDM4EHPGDSMN1; SMN2TP53
SCHEMBL619546 0.75 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHSD17B10TDP1

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-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 RXRA 647/4885RXRB 702/4885LTA4H 3210/4885

“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.