SCHEMBL12848830

SCHEMBL12848830

COC1CC(OC2C(C)OC(C)CC2OC)OC(C)C1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 2/20 0.31
ABCB1 P08183 1/20 0.31
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 1/20 0.31
STAT3 P40763 3/20 0.30

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
SCHEMBL14819927 1.00 CYP3A4 (0.39) CYP3A4LMNATP53SMN1; SMN2USP2
SCHEMBL17145964 1.00 CYP3A4 (0.39) CYP3A4LMNATP53SMN1; SMN2USP2
SCHEMBL23277703 1.00 CYP3A4 (0.39) CYP3A4LMNATP53SMN1; SMN2USP2
SCHEMBL24106455 1.00 CYP3A4 (0.39) CYP3A4LMNATP53SMN1; SMN2USP2
SCHEMBL14819928 0.94 CYP3A4 (0.37) CYP3A4LMNATP53SMN1; SMN2
SCHEMBL14805550 0.94 CYP3A4 (0.37) CYP3A4LMNATP53SMN1; SMN2
SCHEMBL14819942 0.94 CYP3A4 (0.37) CYP3A4LMNATP53SMN1; SMN2
SCHEMBL14819868 0.91 CYP3A4 (0.34) CYP3A4LMNAUSP2ABCB1ATP1A1
SCHEMBL13646756 0.90 CYP3A4 (0.36) CYP3A4LMNATP53SMN1; SMN2ATP1A1
SCHEMBL7603079 0.90 CYP3A4 (0.36) CYP3A4LMNATP53SMN1; SMN2ATP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022034226-A1 AVERMECTIN AND MILBEMYCIN COMPOSITIONS FOR INHALATION UNIVERSIDAD DE NAVARRA (ES) 2022-02-17 WO disclosed
US-9662346-B2 Method of treating hyperesthesia, paresthesia, dolor, and pruritus caused by insect stings or noxious weeds or plants using avermectin compound GALDERMA S.A. (CH) 2017-05-30 US disclosed
US-9150608-B2 Neuro-protective compounds and their use Biotechnology Research Corp. Ltd. (CN) 2015-10-06 US disclosed
US-20150045315-A1 METHOD OF TREATING HYPERESTHESIA, PARESTHESIA, DOLOR, AND PRURITUS CAUSED BY INSECT STINGS OR NOXIOUS WEEDS OR PLANTS USING AVERMECTIN COMPOUND GALDERMA S. A. (CH) 2015-02-12 US disclosed
US-8912151-B2 Method of treating hemorrhoids using macrocyclic lactone compound GALDERMA S.A. (CH) 2014-12-16 US disclosed
US-8901163-B2 Method of treating hyperesthesia, paresthesia, dolor, and pruritus caused by insect stings or noxious weeds or plants using avermectin compound GALDERMA S.A. (CH) 2014-12-02 US disclosed
US-8901163-B2 Method of treating hyperesthesia, paresthesia, dolor, and pruritus caused by insect stings or noxious weeds or plants using avermectin compound GALDERMA S.A. (CH) 2014-12-02 US disclosed
US-8541022-B2 Method of treating burns using avermectin compound GALDERMA S.A. (CH) 2013-09-24 US disclosed
US-8541022-B2 Method of treating burns using avermectin compound GALDERMA S.A. (CH) 2013-09-24 US disclosed
US-20130178433-A1 METHOD OF TREATING HEMORRHOIDS USING MACROCYCLIC LACTONE COMPOUND GALDERMA S.A. (CH) 2013-07-11 US disclosed
US-20130079293-A1 NEURO-PROTECTIVE EFFECTS OF ADELOSTEMMA GRACILLIMUM AND ITS ISOLATED COMPOUNDS BIOTECHNOLOGY RESEARCH CORPORATION LIMITED (CN) 2013-03-28 US disclosed
US-7897559-B2 Acne; dermatitis PARKS L DEAN 2011-03-01 US disclosed
US-20090297589-A1 Method of treating burns using Avermectin compound GALDERMA S.A. (CH) 2009-12-03 US disclosed
US-20090297589-A1 Method of treating burns using Avermectin compound GALDERMA S.A. (CH) 2009-12-03 US disclosed
US-20080161384-A1 Topical skin application; immediate relief GALDERMA S.A. (CH) 2008-07-03 US disclosed
US-20080161384-A1 Topical skin application; immediate relief GALDERMA S.A. (CH) 2008-07-03 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 (5 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-20090297589-A1 Method of treating burns using Avermectin compound MMP1, CUTA, HMGB3 CYP3A4 1449/4885LMNA 388/4885TP53 3898/4885
US-20130079293-A1 NEURO-PROTECTIVE EFFECTS OF ADELOSTEMMA GRACILLIMUM AND ITS ISOLATED COMPOUNDS GRIN2B, GRM7, GRM2 CYP3A4 4471/4885LMNA 4301/4885TP53 4813/4885
US-20130178433-A1 METHOD OF TREATING HEMORRHOIDS USING MACROCYCLIC LACTONE COMPOUND VIP, SI, MLEC CYP3A4 1678/4885LMNA 242/4885TP53 4714/4885
US-20080161384-A1 Topical skin application; immediate relief TRPV1, CUTA, TRPV2 CYP3A4 1784/4885LMNA 2076/4885TP53 4728/4885
US-20150045315-A1 METHOD OF TREATING HYPERESTHESIA, PARESTHESIA, DOLOR, AND PRURITUS CAUSED BY INSECT STINGS OR NOXIOUS WEEDS OR PLANTS USING AVERMECTIN COMPOUND TRPV1, CUTA, ITCH CYP3A4 635/4885LMNA 1711/4885TP53 3361/4885

“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.