SCHEMBL189533

SCHEMBL189533

O=C(O)CC12CCC(CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
GRM1 Q13255 1/20 0.34
HSD11B1 P28845 2/20 0.34
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
BPTF Q12830 1/20 0.33

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
SCHEMBL27102152 0.86 POLB (0.42) POLBCYP1A2ALDH1A1TSHRLMNA
SCHEMBL17628790 0.80
SCHEMBL7412340 0.80 ALDH1A1 (0.39) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL3716616 0.80 ALDH1A1 (0.38) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL418818 0.79 KDM4E (0.35) POLBCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL10590512 0.78 KDM4E (0.34) POLBCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL7594583 0.77 ALDH1A1 (0.37) POLBALDH1A1KDM4EHPGDLMNA
Adamantaneacetic Acid SCHEMBL24688608 0.76 ALDH1A1 (0.62) POLBALDH1A1TSHRCYP2C19CYP3A4
Adamantaneacetic Acid SCHEMBL306081 0.76 ALDH1A1 (0.62) POLBALDH1A1TSHRCYP2C19CYP3A4
Adamantaneacetic Acid SCHEMBL6865701 0.76 ALDH1A1 (0.62) POLBALDH1A1TSHRCYP2C19CYP3A4

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 560 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-20020141952-A1 Regulating the melanin content of mammalian melanocytes by administering alcohols, diols, triols and their analogues APPLIED GENETICS INCORPORATED DERMATICS 2002-10-03 US claimed
WO-2002051395-A1 TREATMENT OF NEURODEGENERATIVE DISEASES CODON PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
WO-1998055085-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS CODON PHARMACEUTICALS, INC. (US) 1998-12-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS POLB 4097/4885CYP1A2 4223/4885ALDH1A1 3087/4885
US-20020141952-A1 Regulating the melanin content of mammalian melanocytes by administering alcohols, diols, triols and their analogues TYR, MITF, MC1R POLB 2099/4885CYP1A2 1487/4885ALDH1A1 339/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS POLB 4097/4885CYP1A2 4223/4885ALDH1A1 3087/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 POLB 1788/4885CYP1A2 1066/4885ALDH1A1 1569/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 POLB 1132/4885CYP1A2 968/4885ALDH1A1 1723/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS POLB 4097/4885CYP1A2 4223/4885ALDH1A1 3087/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS POLB 2187/4885CYP1A2 312/4885ALDH1A1 568/4885

“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.