SCHEMBL3328061

SCHEMBL3328061

C[C](C)C(C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
EPHX1 P07099 7/20 0.37
TP53 P04637 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL9592578 0.97 SHBG (0.36) SHBGEPHX1TP53CA12CA1
SCHEMBL9592446 0.92
SCHEMBL4881996 0.85
SCHEMBL7143320 0.79 EPHX1 (0.44) SHBGEPHX1CA12CA1CA2
SCHEMBL20629591 0.79 SHBG (0.37) SHBGEPHX1TP53CA12CA1
SCHEMBL12913433 0.79 EPHX1 (0.44) SHBGEPHX1CA12CA1CA2
SCHEMBL11606325 0.79 EPHX1 (0.44) SHBGEPHX1CA12CA1CA2
SCHEMBL9141180 0.76 SHBG (0.39) SHBGEPHX1TP53CA12CA1
SCHEMBL6242702 0.76 EPHX1 (0.46) SHBGEPHX1CA12CA1CA2
SCHEMBL11145639 0.75 EPHX1 (0.38) EPHX1TP53CA12CA1CA2

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
WO-1995011899-A1 PYRIMIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-05-04 WO claimed
WO-2023212095-A1 MOLECULES THAT ENHANCE EXTRACELLULAR VESICLE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-02 WO disclosed
EP-3908316-A1 TLR4-TLR7 LIGAND FORMULATIONS AS VACCINE ADJUVANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-17 EP disclosed
WO-2020186229-A1 TLR4-TLR7 LIGAND FORMULATIONS AS VACCINE ADJUVANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-17 WO disclosed
WO-2016164640-A1 SYNTHETIC TLR4 AND TLR7 LIGANDS TO PREVENT, INHIBIT OR TREAT LIVER DISEASE CARSON DENNIS A (US) 2016-10-13 WO disclosed
US-8183402-B2 Industrial method for the synthesis of 17-acetoxy-11β[4-(dimethylamino)-phenyl]-21-methoxy-19-norpregna-4,9-dien-3,20-dione and the key intermediates of the process RICHTER GEDEON NYRT. (HU) 2012-05-22 US disclosed
US-20100137622-A1 INDUSTRIAL METHOD FOR THE SYNTHESIS OF 17-ACETOXY-11beta-[4-(DIMETHYLAMINO)-PHENYL]-21-METHOXY-19-NORPREGNA-4,9-DIEN-3,20-DIONE AND THE KEY INTERMEDIATES OF THE PROCESS RICHTER GEDEON NYRT. (HU) 2010-06-03 US disclosed
WO-1995011899-A1 PYRIMIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-05-04 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 (1 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-20100137622-A1 INDUSTRIAL METHOD FOR THE SYNTHESIS OF 17-ACETOXY-11beta-[4-(DIMETHYLAMINO)-PHENYL]-21-METHOXY-19-NORPREGNA-4,9-DIEN-3,20-DIONE AND THE KEY INTERMEDIATES OF THE PROCESS HSD17B11, HSD17B7, CYP11B1 SHBG 29/4885EPHX1 2087/4885TP53 3677/4885

“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.