SCHEMBL5527434

SCHEMBL5527434

CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.78
LMNA P02545 2/20 0.78
MAPT P10636 2/20 0.78
RECQL P46063 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
KDM4E B2RXH2 2/20 0.77
ALDH1A1 P00352 1/20 0.77
STS P08842 10/20 0.73
CA1 P00915 3/20 0.72
CA2 P00918 3/20 0.72
CA9 Q16790 3/20 0.72
ESR1 P03372 2/20 0.72
ESR2 Q92731 2/20 0.72
ABCC4 O15439 1/20 0.72
CYP2C9 P11712 1/20 0.72
ABCC1 P33527 1/20 0.72
SLCO1B1 Q9Y6L6 1/20 0.72
CA4 P22748 1/20 0.72
CA6 P23280 1/20 0.72
CYP3A4 P08684 3/20 0.68

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
SCHEMBL11671118 1.00 HSD17B1 (0.78) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11672003 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10134113 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14044784 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6691697 0.91 HSD17B1 (0.74) HSD17B1LMNAMAPTRECQLSMN1; SMN2
Ethylene SCHEMBL11572556 0.91 KDM4E (0.66) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6694124 0.91 KDM4E (0.71) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14416886 0.90 HSD17B1 (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL13977649 0.90 HSD17B1 (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15868588 0.90 HSD17B1 (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116725008-A Synergistic nano microemulsion of mouse sterilant and application thereof 广东省农业科学院植物保护研究所 2023-09-12 CN disclosed
CN-114041472-B Device for adding improved nano sterilant 内蒙古农业大学 2023-06-30 CN disclosed
US-8124596-B2 Demethylpenclomedine analogs and their use as anti-cancer agents DEKK-TEC, INC. (US) 2012-02-28 US disclosed
US-20090197844-A1 Demethylpenclomedine Analogs and Their Use as Anti-Cancer Agents DEKK-TEC, INC. 2009-08-06 US disclosed
US-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 US disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed
US-3963766-A Process for separation of 19-nor-Δ4 -androstene-3,17-dione MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-06-15 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 (2 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-20070275935-A1 Estratriene Derivatives ESR2, ESRRB, NR3C2 HSD17B1 19/4885LMNA 3831/4885MAPT 4065/4885
US-20090197844-A1 Demethylpenclomedine Analogs and Their Use as Anti-Cancer Agents MCL1, DNMT1, MYC HSD17B1 2345/4885LMNA 1636/4885MAPT 4761/4885

“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.