SCHEMBL17147745

SCHEMBL17147745

C=C1C(=O)OC2CC3CCC3CCCC12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KDR P35968 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
SCHEMBL12620335 0.86 NLRP3 (0.42) CYP19A1CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL8394084 0.81 CYP19A1 (0.44) CYP19A1CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL24299728 0.77 CYP19A1 (0.41) CYP19A1CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL10192292 0.77 CYP19A1 (0.41) CYP19A1CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL18981060 0.76 CYP19A1 (0.40) CYP19A1CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL17147749 0.76 CYP19A1 (0.40) CYP19A1CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL18981114 0.76 CYP19A1 (0.40) CYP19A1CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL9240777 0.71 MAPT (0.43) CYP2D6CYP2C9CYP2C19STAT3NLRP3
SCHEMBL8629540 0.71 MAPT (0.43) CYP2D6CYP2C9CYP2C19STAT3NLRP3
SCHEMBL8631899 0.71 MAPT (0.43) CYP2D6CYP2C9CYP2C19STAT3NLRP3

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 675/4885CYP2D6 667/4885CYP2C9 225/4885
US-20150284353-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, GGPS1 CYP19A1 616/4885CYP2D6 710/4885CYP2C9 265/4885
US-20150299155-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, PGC CYP19A1 675/4885CYP2D6 667/4885CYP2C9 225/4885

“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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