SCHEMBL18704446

SCHEMBL18704446

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@@]43C)C2C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.80
▸ PTPN2 P17706 6/20 0.80
▸ F3 P13726 5/20 0.80
▸ POLB P06746 3/20 0.80
▸ USP7 Q93009 3/20 0.80
▸ AKR1B10 O60218 3/20 0.80
▸ GPBAR1 Q8TDU6 3/20 0.80
▸ PSMB11 A5LHX3 2/20 0.80
▸ PSMA7 O14818 2/20 0.80
▸ PLA2G1B P04054 2/20 0.80
▸ PTPRC P08575 2/20 0.80
▸ PTPRF P10586 2/20 0.80
▸ PSMB1 P20618 2/20 0.80
▸ CES1 P23141 2/20 0.80
▸ ACP1 P24666 2/20 0.80
▸ PSMA1 P25786 2/20 0.80
▸ PSMA2 P25787 2/20 0.80
▸ PSMA3 P25788 2/20 0.80
▸ PSMA4 P25789 2/20 0.80
▸ PSMB8 P28062 2/20 0.80

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
SCHEMBL9880211 1.00 PTPN1 (0.80) PTPN1PTPN2F3POLBUSP7
SCHEMBL828727 1.00 PTPN1 (0.80) PTPN1PTPN2F3POLBUSP7
SCHEMBL18712554 1.00 PTPN1 (0.80) PTPN1PTPN2F3POLBUSP7
SCHEMBL10322381 0.91 PTPN1 (0.75) PTPN1PTPN2F3POLBUSP7
SCHEMBL29935128 0.91 PTPN1 (0.66) PTPN1PTPN2F3POLBUSP7
SCHEMBL18712775 0.90 PTPN1 (0.81) PTPN1PTPN2F3POLBUSP7
Oleanolic_Acid SCHEMBL24916648 0.89 PTPN1 (1.00) PTPN1PTPN2F3POLBUSP7
Oleanolic_Acid SCHEMBL22009261 0.89 PTPN1 (1.00) PTPN1PTPN2F3POLBUSP7
Oleanolic_Acid SCHEMBL20904290 0.89 PTPN1 (1.00) PTPN1PTPN2F3POLBUSP7
Oleanolic_Acid SCHEMBL21892159 0.89 PTPN1 (1.00) PTPN1PTPN2F3POLBUSP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096444-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2017-04-06 — — 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 (1 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-20170096444-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF DDOST, SI, STT3A PTPN1 114/4885PTPN2 82/4885F3 2722/4885

“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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