SCHEMBL6405681

SCHEMBL6405681

CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CCC(OC(=O)c2ccccc2)C(C)(C)C1CC3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SRD5A2 P31213 3/20 0.36
▸ CDC25B P30305 2/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ SRD5A1 P18405 4/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ HMGCR P04035 1/20 0.34
▸ POLA1 P09884 1/20 0.33
▸ EBP Q15125 3/20 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
SCHEMBL9769590 1.00 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7697140 0.91 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL5027314 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL5027320 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7128673 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL8212261 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7698278 0.90 BACE1 (0.39) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7707297 0.90 PTPN1 (0.37) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL7697228 0.89 PTPN1 (0.38) USP2ALDH1A1CYP3A4MAPTALOX15
SCHEMBL6405678 0.88 USP2 (0.49) USP2ALDH1A1CYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222098-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2005-10-06 — — US disclosed
EP-0767798-B1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK AS (DK) 2003-09-03 — — EP disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 — — US disclosed
US-5716777-A REGULATING MEIOSIS IN MAMMALIAN GERM CELL BY ADMINISTERING SPECIFIED STEROL IN VITRO NOVO NORDISK A/S (DK) 1998-02-10 — — US disclosed
EP-0767798-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1997-04-16 — — EP disclosed
WO-1996000235-A1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK A/S (DK) 1996-01-04 — — 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 (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-20050222098-A1 Regulation of meiosis ALPG, MNS1, BUB1B USP2 2491/4885ALDH1A1 2659/4885CYP3A4 3932/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B USP2 2491/4885ALDH1A1 2659/4885CYP3A4 3932/4885

“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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