SCHEMBL2174056

SCHEMBL2174056

CC(=O)Oc1ccccc1C(=O)O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2175100 0.85 PTGS2 (0.46) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL7109537 0.83 HSD17B10 (0.46) PTGS2HSD17B10KDM4ELMNACYP1A2
Acetone SCHEMBL2176182 0.83 LMNA (0.41) HSD17B10KDM4ELMNAHPGDALDH1A1
SCHEMBL3259181 0.83 PTGS2 (0.45) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL23567079 0.81 ALDH1A1 (0.41) HSD17B10KDM4ELMNAHPGDALDH1A1
SCHEMBL5012212 0.81 TDP1 (0.41) HSD17B10KDM4ELMNAHPGDALDH1A1
SCHEMBL6938579 0.81 TDP1 (0.41) HSD17B10KDM4ELMNAHPGDALDH1A1
SCHEMBL28347679 0.81 PTGS2 (0.56) PTGS2HSD17B10KDM4ELMNACYP1A2
SCHEMBL5035198 0.80 TSHR (0.39) KDM4EHPGDALDH1A1TSHRKMT2A
SCHEMBL10873868 0.80 NPC1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250844-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN ORGANOMED CORPORATION 2015-09-10 US disclosed
US-9012411-B2 Formulations from derivatives of curcumin, paclitaxel, and aspirin ORGANOMED CORPORATION (US) 2015-04-21 US disclosed
US-20130029922-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN ORGANOMED CORPORATION (US) 2013-01-31 US disclosed
WO-2011082290-A2 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, AND ASPIRIN ORGANOMED CORPORATION (US) 2011-07-07 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-20150250844-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN PTGES, PTGES2, PTGES3 PTGS2 9/4885HSD17B10 4076/4885KDM4E 4808/4885
US-20130029922-A1 FORMULATIONS FROM NATURAL PRODUCTS, TURMERIC, PACLITAXEL, AND ASPIRIN PTGES, PTGES2, PTGES3 PTGS2 9/4885HSD17B10 4076/4885KDM4E 4808/4885

“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.