SCHEMBL1072980

SCHEMBL1072980

CC1(C)C2(C(=O)O)CC3CC(C2)CC1(C(=O)O)C3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
APLNR P35414 1/20 0.36
TSHR P16473 1/20 0.35
FFAR3 O14843 1/20 0.35
THRB P10828 2/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 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
SCHEMBL14246423 0.89 ALDH1A1 (0.33) ALDH1A1APLNRTSHRFFAR3THRB
SCHEMBL27912175 0.87 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1EPHX1EPHX2
SCHEMBL4889920 0.79 ALDH1A1 (0.33) ALDH1A1APLNRTSHRFFAR3THRB
SCHEMBL160641 0.78 THRB (0.35) ALDH1A1TSHRTHRBCYP2C9GAA
SCHEMBL5248488 0.77 THRB (0.36) ALDH1A1APLNRTHRBCYP2C9GAA
Hydrochloric Acid SCHEMBL27509387 0.77 PKM (0.33) ALDH1A1APLNRTSHRGAAPKM
Bromide SCHEMBL27493953 0.77 ALDH1A1 (0.32) ALDH1A1APLNRTSHRGAAPKM
SCHEMBL31065065 0.76 THRB (0.34) ALDH1A1THRBCYP2C9GAAPKM
SCHEMBL31065066 0.76 THRB (0.34) ALDH1A1THRBCYP2C9GAAPKM
SCHEMBL702569 0.76 ALDH1A1 (0.33) ALDH1A1THRBCYP2C9GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066288-A1 DIHYDRAZIDE-DIHYDRAZONE COMPOUNDS WITH ADAMANTYL MOIETY AND A PROCESS FOR SYNTHESIS OF THE SAME PAWAR RUPA SACHIN (IN) 2025-02-27 US claimed
WO-2023237924-A1 DIHYDRAZIDE-DIHYDRAZONE COMPOUNDS WITH ADAMANTYL MOIETY AND A PROCESS FOR SYNTHESIS OF THE SAME PAWAR RUPA SACHIN (IN) 2023-12-14 WO claimed
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US claimed
US-20250066288-A1 DIHYDRAZIDE-DIHYDRAZONE COMPOUNDS WITH ADAMANTYL MOIETY AND A PROCESS FOR SYNTHESIS OF THE SAME PAWAR RUPA SACHIN (IN) 2025-02-27 US disclosed
WO-2023237924-A1 DIHYDRAZIDE-DIHYDRAZONE COMPOUNDS WITH ADAMANTYL MOIETY AND A PROCESS FOR SYNTHESIS OF THE SAME PAWAR RUPA SACHIN (IN) 2023-12-14 WO disclosed
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 US disclosed
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 WO disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 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 (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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT ALDH1A1 3571/4885APLNR 763/4885TSHR 4729/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 ALDH1A1 1992/4885APLNR 2055/4885TSHR 4258/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 ALDH1A1 1992/4885APLNR 2055/4885TSHR 4258/4885
US-20250066288-A1 DIHYDRAZIDE-DIHYDRAZONE COMPOUNDS WITH ADAMANTYL MOIETY AND A PROCESS FOR SYNTHESIS OF THE SAME DHODH, TALDO1, SLC5A1 ALDH1A1 190/4885APLNR 4270/4885TSHR 3058/4885

“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.