SCHEMBL17147743

SCHEMBL17147743

C=C1C(=O)OC2C1CCCC1CCCC12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.56
▸ PKM P14618 6/20 0.37
▸ NLRP3 Q96P20 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ STAT6 P42226 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL8394084 0.71 CYP19A1 (0.44) CYP19A1PKMNLRP3LMNATP53
SCHEMBL17147745 0.70 CYP19A1 (0.44) CYP19A1PKMNLRP3CYP3A4MAPT
SCHEMBL18550776 0.68 CYP19A1 (0.52) CYP19A1PKMNLRP3ALDH1A1LMNA
SCHEMBL24299728 0.67 CYP19A1 (0.41) CYP19A1PKMNLRP3LMNATP53
SCHEMBL10192292 0.67 CYP19A1 (0.41) CYP19A1PKMNLRP3LMNATP53
SCHEMBL18981114 0.66 CYP19A1 (0.40) CYP19A1PKMNLRP3LMNATP53
SCHEMBL17147749 0.66 CYP19A1 (0.40) CYP19A1PKMNLRP3LMNATP53
SCHEMBL18981060 0.66 CYP19A1 (0.40) CYP19A1PKMNLRP3LMNATP53
SCHEMBL21563384 0.66 CYP19A1 (0.40) CYP19A1PKMNLRP3ALDH1A1LMNA
SCHEMBL3941375 0.66 CYP19A1 (0.43) CYP19A1PKMNLRP3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336919-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. (KR) 2015-11-26 — — US disclosed
US-20150336919-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. (KR) 2015-11-26 — — US disclosed
US-20150299155-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. 2015-10-22 — — US disclosed
US-20150299155-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. 2015-10-22 — — US disclosed
US-20150284353-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM, CO., LTD. a corporation 2015-10-08 — — US disclosed
US-20150284353-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM, CO., LTD. a corporation 2015-10-08 — — 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 (3 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-20150336919-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, PGC CYP19A1 675/4885PKM 2651/4885NLRP3 343/4885
US-20150284353-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, GGPS1 CYP19A1 616/4885PKM 2717/4885NLRP3 320/4885
US-20150299155-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, PGC CYP19A1 675/4885PKM 2651/4885NLRP3 343/4885

“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.

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