SCHEMBL909493

SCHEMBL909493

CCC(C(=O)O)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CPN1 P15169 4/20 0.40
▸ CPB2 Q96IY4 4/20 0.40
▸ PIK3CD O00329 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MME P08473 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
SCHEMBL6270743 0.85 — —
SCHEMBL5967397 0.85 — —
SCHEMBL13278433 0.81 CYP2C9 (0.44) CPN1CPB2CYP2C9CYP2C19HIF1A
SCHEMBL3509472 0.81 CYP2C9 (0.47) CPN1CPB2ALDH1A1CYP2C9CYP2C19
SCHEMBL5696321 0.80 LCK (0.44) —
SCHEMBL15774213 0.80 CPN1 (0.39) CPN1CPB2PIK3CDALDH1A1MME
SCHEMBL17526053 0.80 CPN1 (0.40) CPN1CPB2PIK3CDALDH1A1CYP2C9
SCHEMBL16508841 0.79 ALDH1A1 (0.36) PIK3CDALDH1A1CYP2C19
Cyclohexane SCHEMBL253223 0.79 CYP2C9 (0.50) CPN1CPB2ALDH1A1CYP2C9CYP2C19
Cyclohexane SCHEMBL16341926 0.79 CYP2C9 (0.50) CPN1CPB2ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 — — US disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 — — US disclosed
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 — — US disclosed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 — — EP disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 — — US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 — — US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 — — EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — 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 (3 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 CPN1 2306/4885CPB2 1663/4885PIK3CD 4268/4885
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 CPN1 555/4885CPB2 1034/4885PIK3CD 2918/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA CPN1 3795/4885CPB2 3671/4885PIK3CD 1942/4885

“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.

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