SCHEMBL19042004

SCHEMBL19042004

CC(=O)[C@H](O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
MMP9 P14780 1/20 0.49
AOC3 Q16853 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 6/20 0.44
KCNH2 Q12809 3/20 0.44

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
SCHEMBL29785786 0.82 LMNA (0.59) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL198264 0.82 LMNA (0.59) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL2683267 0.82 LMNA (0.59) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL4946211 0.82 LMNA (0.59) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL30367064 0.81 UGT2B7 (0.60) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL15695558 0.81 UGT2B7 (0.60) UGT2B7MMP9CYP1A2TSHR
SCHEMBL1579310 0.80 UGT2B7 (0.55) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL29941132 0.80 UGT2B7 (0.55) UGT2B7MEN1KMT2AATMMMP9
Acetic Acid SCHEMBL7514323 0.79 UGT2B7 (0.81) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL28555283 0.78 CES2 (0.63) UGT2B7MEN1KMT2AATMMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10238631-B2 Sesquiterpene derivatives and their use in inflammation or cancer treatment ACADEMIA SINICA (TW) 2019-03-26 US disclosed
US-20170182001-A1 NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION OR CANCER TREATMENT THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2017-06-29 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-20170182001-A1 NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION OR CANCER TREATMENT GSTK1, MIF, GSTA1 UGT2B7 1576/4885MEN1 3940/4885KMT2A 3539/4885
US-10238631-B2 Sesquiterpene derivatives and their use in inflammation or cancer treatment GSTK1, GSTA1, GTPBP10 UGT2B7 1727/4885MEN1 3694/4885KMT2A 3406/4885

“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.