Sugi Predict

Sugi Predict / Compounds / SCHEMBL43455

SCHEMBL43455

SCHEMBL43455

[c]1ccc(C2CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 11/20 0.47
▸ ESR1 P03372 6/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NOTUM Q6P988 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
SCHEMBL21538 0.95 ESR2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL22833 0.92 CYP11B2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL2911926 0.92 CYP11B2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL676555 0.92 CYP11B2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL5543159 0.92 CYP11B2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL22929 0.92 — —
SCHEMBL6578876 0.92 POLB (0.46) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL6574631 0.90 ESR2 (0.39) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL27452122 0.90 CYP11B2 (0.41) ESR2ESR1CYP3A4CYP2C9CYP2D6
Fluoromethane SCHEMBL28164137 0.86 CYP11B2 (0.38) ESR2ESR1CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4366724-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ Biohub SF, LLC (US) 2024-05-15 — — EP claimed
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 — — US claimed
WO-2023283488-A9 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ BIOHUB SF, LLC (US) 2023-05-25 — — WO claimed
US-20230094705-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR CHRONIC PROSTATITIS/CHRONIC PELVIC PAIN SYNDROME NIPPON SHINYAKU CO., LTD. (JP) 2023-03-30 — — US claimed
US-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-02-09 — — US claimed
WO-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 — — WO claimed
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-08-05 — — US claimed
WO-2021132473-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR 日本新薬株式会社 2021-07-01 — — WO claimed
WO-2021132472-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR CHRONIC PROSTATITIS/CHRONIC PELVIC PAIN SYNDROME 日本新薬株式会社 2021-07-01 — — WO claimed
US-11001568-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-05-11 — — US claimed
CN-101212974-A 4-fluoro-piperidine T-type calcium channel antagonists MERCK & CO INC (US) 2008-07-02 — — CN claimed
EP-1901746-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-26 — — EP claimed
EP-1896414-A2 3-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-12 — — EP claimed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 — — CN claimed
WO-2007149873-A2 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 — — WO claimed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 — — US claimed
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 — — WO claimed
WO-2007002361-A2 3-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 — — WO claimed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 — — EP claimed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 — — 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 (6 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-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR MPEG1, CD274, PDCD1 ESR2 2993/4885ESR1 3425/4885CYP3A4 2869/4885
US-11001568-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 ESR2 470/4885ESR1 588/4885CYP3A4 3827/4885
US-20230094705-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR CHRONIC PROSTATITIS/CHRONIC PELVIC PAIN SYNDROME PTGES, PTGS1, PTGIS ESR2 1020/4885ESR1 1807/4885CYP3A4 3771/4885
US-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 ESR2 470/4885ESR1 588/4885CYP3A4 3827/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 ESR2 4173/4885ESR1 4782/4885CYP3A4 454/4885
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 ESR2 470/4885ESR1 588/4885CYP3A4 3827/4885

“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.