SCHEMBL3009312

SCHEMBL3009312

C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F3 P13726 5/20 0.77
▸ SENP1 Q9P0U3 3/20 0.68
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ PTPN1 P18031 2/20 0.66
▸ AKR1B10 O60218 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ CTSD P07339 1/20 0.66
▸ PTPRF P10586 1/20 0.66
▸ CYP19A1 P11511 1/20 0.66
▸ CETP P11597 1/20 0.66
▸ AKR1B1 P15121 1/20 0.66
▸ PTPN2 P17706 1/20 0.66
▸ CES1 P23141 1/20 0.66
▸ ACP1 P24666 1/20 0.66
▸ HSD11B1 P28845 1/20 0.66
▸ PTPN6 P29350 1/20 0.66
▸ EPHX2 P34913 1/20 0.66
▸ PTGS2 P35354 1/20 0.66
▸ RECQL P46063 1/20 0.66

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
SCHEMBL6652502 1.00 F3 (0.77) F3SENP1MEN1KMT2APTPN1
SCHEMBL3007252 0.93 F3 (0.78) F3PTPN1PTPN2SYNJ2
SCHEMBL3007240 0.90 F3 (0.71) F3PTPN1PTPN2SLCO1B3SLCO1B1
SCHEMBL3005626 0.88 SENP1 (0.70) F3SENP1MEN1KMT2APTPN1
SCHEMBL24190889 0.87 PTPN1 (0.69) F3SENP1MEN1KMT2APTPN1
SCHEMBL2999839 0.87 F3 (1.00) F3PTPN1AKR1B10POLBPTPRF
SCHEMBL30530185 0.87 F3 (1.00) F3PTPN1AKR1B10POLBPTPRF
SCHEMBL24190850 0.87 PTPN1 (0.69) F3SENP1MEN1KMT2APTPN1
Quadranoside Iv SCHEMBL31375394 0.87 SYNJ2 (0.84) F3AKR1B10AKR1B1HSD11B1USP2
Matesaponin 1 SCHEMBL31574665 0.86 F3 (0.70) F3PTPN1PTPN2SLCO1B3SLCO1B1

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-8394776-B2 Use of ursolic acid saponin,oleanolic acid saponin in preparation of increasing leucocytes and/or platelet medicine CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTOR (CN) 2013-03-12 — — US disclosed
US-20100197898-A1 USE OF URSOLIC ACID SAPONIN,OLEANOLIC ACID SAPONIN IN PREPARATION OF INCREASING LEUCOCYTES AND/OR PLATELET MEDICINE CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2010-08-05 — — US disclosed
EP-1430787-A1 FEEDS AND FERTILIZERS CONTAINING PENTACYCLIC TRITERPENES The Nisshin OilliO, Ltd. (JP) 2004-06-23 — — EP disclosed
US-20040086553-A1 Foods and beverages for whitening and orally administered whitening agents THE NISSHIN OILLIO, LTD. 2004-05-06 — — US disclosed
US-20030153538-A1 Antitumor agent THE NISSHIN OILLIO, LTD. 2003-08-14 — — US disclosed
EP-1321145-A1 ANTITUMOR AGENTS The Nisshin Oillio, Ltd. (JP) 2003-06-25 — — EP 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-20030153538-A1 Antitumor agent MAS1, BET1, MEN1 F3 3120/4885SENP1 740/4885MEN1 3/4885
US-20100197898-A1 USE OF URSOLIC ACID SAPONIN,OLEANOLIC ACID SAPONIN IN PREPARATION OF INCREASING LEUCOCYTES AND/OR PLATELET MEDICINE OSTC, MAN1B1, SIGLEC7 F3 414/4885SENP1 572/4885MEN1 4697/4885
US-20040086553-A1 Foods and beverages for whitening and orally administered whitening agents NQO1, TYR, CYP2A13 F3 827/4885SENP1 1598/4885MEN1 2217/4885

“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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