SCHEMBL178211

SCHEMBL178211

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)C5CC[C@]43C)[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 1.00
PTPN2 P17706 7/20 1.00
POLB P06746 3/20 0.73
F3 P13726 3/20 0.73
AKR1B10 O60218 3/20 0.73
GPBAR1 Q8TDU6 3/20 0.73
PSMB11 A5LHX3 2/20 0.73
PSMA7 O14818 2/20 0.73
PLA2G1B P04054 2/20 0.73
PTPRC P08575 2/20 0.73
PTPRF P10586 2/20 0.73
PSMB1 P20618 2/20 0.73
CES1 P23141 2/20 0.73
ACP1 P24666 2/20 0.73
PSMA1 P25786 2/20 0.73
PSMA2 P25787 2/20 0.73
PSMA3 P25788 2/20 0.73
PSMA4 P25789 2/20 0.73
PSMB8 P28062 2/20 0.73
PSMB9 P28065 2/20 0.73

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
SCHEMBL14642424 1.00 PTPN1 (1.00) PTPN1PTPN2POLBF3AKR1B10
SCHEMBL25981456 1.00 PTPN1 (1.00) PTPN1PTPN2POLBF3AKR1B10
SCHEMBL178210 1.00 PTPN1 (1.00) PTPN1PTPN2POLBF3AKR1B10
SCHEMBL4462388 0.87 PTPN1 (0.76) PTPN1PTPN2POLBF3AKR1B10
SCHEMBL974587 0.85 PTPN1 (0.73) PTPN1PTPN2POLBF3AKR1B10
SCHEMBL31593848 0.85 PTPN1 (0.73) PTPN1PTPN2POLBF3AKR1B10
SCHEMBL974588 0.85 PTPN1 (0.73) PTPN1PTPN2POLBF3AKR1B10
SCHEMBL6913431 0.85 PTPN1 (0.73) PTPN1PTPN2POLBF3AKR1B10
Oleanolic_Acid SCHEMBL24916648 0.84 PTPN1 (1.00) PTPN1PTPN2POLBF3AKR1B10
Oleanolic_Acid SCHEMBL22009261 0.84 PTPN1 (1.00) PTPN1PTPN2POLBF3AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023238945-A1 FINE HAIR-INDUCING AGENT MED R&D株式会社 2023-12-14 WO claimed
WO-2023238945-A1 FINE HAIR-INDUCING AGENT MED R&D株式会社 2023-12-14 WO disclosed
CN-108003214-B Saponin compound extracted from rhizoma bolbostemmae, and its preparation method and application 成都普思生物科技股份有限公司 2020-05-19 CN disclosed
CN-108003214-A A kind of saponin compound and its methods and applications extracted from the rhizoma bolbostemmae 成都普思生物科技股份有限公司 2018-05-08 CN disclosed
EP-1910844-B1 CROSS-BETA STRUCTURE BINDING COMPOUNDS CROSSBETA BIOSCIENCES BV (NL) 2012-04-18 EP disclosed
EP-2386861-A2 Cross-ß structure binding compounds Crossbeta Biosciences B.V. (NL) 2011-11-16 EP disclosed
US-8041447-B2 Numerical controller having workpiece setting error compensation means FANUC LTD (JP) 2011-10-18 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-7465466-B2 Compositions and methods for prostate and kidney health and disorders, an herbal preparation INTEGRATED CHINESE MEDICINE HOLDINGS, LTD. (HK) 2008-12-16 US disclosed
US-7449202-B1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation INTEGRATED CHINESE MEDICINE HOLDINGS, LTD. (HK) 2008-11-11 US disclosed
US-7223424-B2 Compositions and methods for prostate and kidney health and disorders, an herbal preparation INTEGRATED CHINESE MEDICINE HOLDINGS, LTD. (HK) 2007-05-29 US disclosed
US-20060210657-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation SIBONI GROUP LIMITED (HK) 2006-09-21 US disclosed
US-20050136140-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation SIBONI GROUP LIMITED (HK) 2005-06-23 US disclosed
US-6855344-B2 Compositions and methods for prostate and kidney health and disorders, an herbal preparation INTEGRATED CHINESE MEDICINE HOLDINGS, LTD. (HK) 2005-02-15 US disclosed
US-20030134000-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation SIBONI GROUP LIMITED (HK) 2003-07-17 US disclosed
US-20030108629-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation INTEGRATED CHINESE MEDICINE HOLDINGS, LTD. (CN) 2003-06-12 US disclosed
WO-2003037246-A2 COMPOSITIONS AND METHODS FOR PROSTATE AND KIDNEY HEALTH AND DISORDERS, AN HERBAL PREPARATION INTEGRATED CHINESE MEDICINE HOLDINGS LTD. (CN) 2003-05-08 WO 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 (4 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-20030108629-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation ALPI, ERGIC1, BPHL PTPN1 4319/4885PTPN2 4147/4885POLB 4234/4885
US-20060210657-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation ALPI, ERGIC1, BPHL PTPN1 4319/4885PTPN2 4147/4885POLB 4234/4885
US-20050136140-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation ALPI, NR1I3, CCNI PTPN1 4188/4885PTPN2 4103/4885POLB 4229/4885
US-20030134000-A1 Compositions and methods for prostate and kidney health and disorders, an herbal preparation ALPI, ERGIC1, BPHL PTPN1 4319/4885PTPN2 4147/4885POLB 4234/4885

“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.