SCHEMBL18334080

SCHEMBL18334080

CCOC(=O)[C@@H]1CCCN1C[C@@H]1C(=O)O[C@H]2[C@H]1CCC1(CC1)[C@@H]1CCC3(CC3)[C@H]21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ MITF O75030 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ FKBP1A P62942 2/20 0.30

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
SCHEMBL21527055 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL21527078 0.69 ICAM1 (0.32) —
SCHEMBL21527059 0.66 NLRP3 (0.32) —
SCHEMBL1230234 0.66 CYP19A1 (0.33) MEN1KMT2AMITFATM
SCHEMBL21526998 0.65 NLRP3 (0.31) —
SCHEMBL1704641 0.64 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14925980 0.64 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL3294572 0.64 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL13759915 0.62 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18948659 0.62 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463644-B2 Uses of sesquiterpene lactone compounds and their derivatives in drugs preparation ACCENDATECH (CN) 2019-11-05 — — US disclosed
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION ACCENDATECH (CN) 2016-12-22 — — US disclosed
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION ACCENDATECH (CN) 2016-12-22 — — 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-10463644-B2 Uses of sesquiterpene lactone compounds and their derivatives in drugs preparation MCL1, TNF, LSS ALDH1A1 70/4885KDM4E 2200/4885MEN1 1063/4885
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION MCL1, TNF, LSS ALDH1A1 70/4885KDM4E 2200/4885MEN1 1063/4885

“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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