SCHEMBL16641594

SCHEMBL16641594

C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](O)C[C@H](O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.60
▸ MAPT P10636 4/20 0.60
▸ HTT P42858 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ AGTR1 P30556 3/20 0.60
▸ GPR55 Q9Y2T6 3/20 0.60
▸ XBP1 P17861 3/20 0.60
▸ MDM2 Q00987 3/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ POLB P06746 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.48
▸ TERT O14746 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 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
SCHEMBL16639615 0.93 NPC1 (0.62) NPC1MAPTHTTRAB9AMAPK1
SCHEMBL16677163 0.90 NPC1 (0.59) NPC1MAPTHTTRAB9AMAPK1
SCHEMBL16644430 0.90 NPC1 (0.59) NPC1MAPTHTTRAB9AMAPK1
SCHEMBL29096257 0.90 NPC1 (0.59) NPC1MAPTHTTRAB9AMAPK1
SCHEMBL16639616 0.83 NPC1 (0.50) NPC1MAPTHTTRAB9AMAPK1
SCHEMBL20376172 0.82 NPC1 (0.57) NPC1MAPTHTTRAB9AMAPK1
Chamissonolide SCHEMBL23601535 0.81 NPC1 (0.52) NPC1MAPTHTTRAB9AMAPK1
Ergolide SCHEMBL28262978 0.76 PTGS2 (0.67) NPC1MAPTHTTRAB9AMAPK1
Inuchinenolide C SCHEMBL28264096 0.76 NPC1 (0.51) NPC1MAPTHTTRAB9AMAPK1
Angustibalin SCHEMBL509228 0.75 MAPT (1.00) NPC1MAPTHTTRAB9AMAPK1

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-9303006-B2 Line leaf inula flower lactone A and methods for preparing and using the same for treating myocarditis SHANXI ZHENDONG PILOT BIOLOGICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2016-04-05 — — US disclosed
US-9278948-B2 Line leaf inula flower lactone A and methods for preparing and using the same for treating multiple sclerosis SHANXI ZHENDONG PILOT BIOLOGICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2016-03-08 — — US disclosed
US-20150105457-A1 LINE LEAF INULA FLOWER LACTONE A AND METHODS FOR PREPARING AND USING THE SAME FOR TREATING MYOCARDITIS SHANXI ZHENDONG PILOT BIOLOGICAL SCIENCE AND TECHNOLOGY CO., LTD. 2015-04-16 — — US disclosed
US-20150105458-A1 LINE LEAF INULA FLOWER LACTONE A AND METHODS FOR PREPARING AND USING THE SAME FOR TREATING MULTIPLE SCLEROSIS SHANXI ZHENDONG PILOT BIOLOGICAL SCIENCE AND TECHNOLOGY CO., LTD. 2015-04-16 — — 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-20150105458-A1 LINE LEAF INULA FLOWER LACTONE A AND METHODS FOR PREPARING AND USING THE SAME FOR TREATING MULTIPLE SCLEROSIS ACSL5, IL5, MSL1 NPC1 2782/4885MAPT 2623/4885HTT 2249/4885
US-20150105457-A1 LINE LEAF INULA FLOWER LACTONE A AND METHODS FOR PREPARING AND USING THE SAME FOR TREATING MYOCARDITIS COX5A, COX15, ACSL5 NPC1 2783/4885MAPT 4041/4885HTT 3485/4885

“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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