SCHEMBL833488

SCHEMBL833488

COc1c(C(=O)O)ccc2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
RXRA P19793 4/20 0.43
CXCR2 P25025 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR5 P32302 1/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
METAP2 P50579 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21834481 0.87 MEN1 (0.41) TDP1MAPTCXCR2ALDH1A1MEN1
SCHEMBL837492 0.82 HPGD (0.56) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL3932327 0.80 CXCR2 (0.47) MAPTRXRACXCR2RXRBRXRG
SCHEMBL21203936 0.80 HTR2A (0.40) TDP1MAPT
SCHEMBL1505827 0.77 TDP1 (0.61) TDP1MAPTALDH1A1POLBHSD17B10
SCHEMBL19932031 0.76 MEN1 (0.37) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL29600459 0.75 TDP1 (0.39) TDP1MAPTRXRAALDH1A1RXRB
Hydrochloric Acid SCHEMBL2202243 0.75 TDP1 (0.59) TDP1MAPTALDH1A1POLBHSD17B10
SCHEMBL22102561 0.75 CA12 (0.50) TDP1MAPTRXRAALDH1A1RXRB
SCHEMBL29660431 0.75 CA12 (0.50) TDP1MAPTRXRAALDH1A1RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378118-B2 Pyrazole-based thyroid receptor compounds TORRENT PHARMACEUTICALS LTD. (IN) 2013-02-19 US disclosed
US-20120202816-A1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS, LTD. (IN) 2012-08-09 US disclosed
US-8143424-B2 Thyroid like compounds TORRENT PHARMACEUTICALS LTD. (IN) 2012-03-27 US disclosed
EP-2061766-B1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2010-08-18 EP disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 US disclosed
EP-2061766-A2 NOVEL COMPOUNDS Torrent Pharmaceuticals Ltd (IN) 2009-05-27 EP disclosed
WO-2008149379-A2 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD. (IN) 2008-12-11 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 (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-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 TDP1 4220/4885MAPT 4782/4885RXRA 42/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 TDP1 4220/4885MAPT 4782/4885RXRA 42/4885

“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.