SCHEMBL16489095

SCHEMBL16489095

C[C@]12CCC[C@](C)(OC=O)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.68
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HSD11B2 P80365 1/20 0.37
▸ F10 P00742 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTPN1 P18031 4/20 0.33
▸ SELP P16109 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PTPN2 P17706 2/20 0.32
▸ CDC25B P30305 2/20 0.32

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
SCHEMBL19521833 0.91 HSD11B1 (0.56) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL5043912 0.81 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
Annosquamosin B SCHEMBL31497491 0.81 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL5043911 0.81 HSD11B1 (0.81) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL24834667 0.79 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL14704498 0.79 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL16491619 0.79 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL14690730 0.79 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL19522314 0.79 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL4733774 0.79 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1MAPT

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-9801918-B2 Methods of treatment using extracts of Anisomeles heyneana COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-31 — — US disclosed
US-20160271196-A1 Compounds from Anisomeles Heyneana COUNCIL SCIENT IND RES (IN) 2016-09-22 — — US disclosed
US-20150051277-A1 Compounds from Anisomeles Heyneana COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-19 — — 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-20150051277-A1 Compounds from Anisomeles Heyneana MCL1, ANXA3, IKZF3 HSD11B1 1584/4885MEN1 1043/4885KMT2A 2518/4885
US-20160271196-A1 Compounds from Anisomeles Heyneana MCL1, IKZF3, ANXA3 HSD11B1 1561/4885MEN1 1009/4885KMT2A 2525/4885

“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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