SCHEMBL2740455

SCHEMBL2740455

CC(C)CCOCCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
RIPK1 Q13546 1/20 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
SCHEMBL13592112 0.98 ALDH1A1 (0.34) ALDH1A1HRH3TDP1CA12CA1
SCHEMBL24090272 0.98 ALDH1A1 (0.34) ALDH1A1HRH3TDP1CA12CA1
SCHEMBL25877714 0.86 HRH3 (0.39) ALDH1A1HRH3TDP1CA12CA1
SCHEMBL18503245 0.83 LMNA (0.48) HRH3
SCHEMBL18503149 0.82 HRH3 (0.37) HRH3
SCHEMBL18419063 0.82 HRH3 (0.37) HRH3
SCHEMBL7739899 0.81 ALDH1A1 (0.39) ALDH1A1TDP1CA12CA1CA2
SCHEMBL27570999 0.81 ALDH1A1 (0.38) ALDH1A1TDP1CA12CA1CA2
SCHEMBL133695 0.81 HRH3 (0.41) HRH3TDP1
SCHEMBL42956 0.81 ALDH1A1 (0.48) ALDH1A1TDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858925-B2 GAS41 inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-02 US disclosed
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-10-19 US disclosed
US-20230287138-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF REGNERON PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
US-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-04 US disclosed
US-20180155332-A1 SMALL MOLECULE BASED ANTIBODY-RECRUITING COMPOUNDS FOR CANCER TREATMENT YALE UNIVERSITY 2018-06-07 US disclosed
US-20170281784-A1 PROTEIN-PROTEIN INTERACTION INDUCING TECHNOLOGY ARVINAS OPERATIONS, INC. 2017-10-05 US disclosed
US-20160089446-A1 Modified Hydrogels ASCENDIS PHARMA A/S (DK) 2016-03-31 US disclosed
US-20150297740-A1 VEGF Neutralizing Prodrugs for the Treatment of Ocular Conditions ASCENDIS PHARMA INC. 2015-10-22 US disclosed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-8101638-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 US disclosed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US disclosed
US-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY 2007-07-05 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 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 (14 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-20230287138-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF TGM2, QPCT, TGM3 ALDH1A1 1468/4885HRH3 3565/4885TDP1 426/4885
US-20170281784-A1 PROTEIN-PROTEIN INTERACTION INDUCING TECHNOLOGY HSPBP1, PEBP1, PMAIP1 ALDH1A1 4813/4885HRH3 3358/4885TDP1 2795/4885
US-20160089446-A1 Modified Hydrogels CD44, DNPH1, PHYKPL ALDH1A1 229/4885HRH3 1514/4885TDP1 598/4885
US-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY OPRM1, OPRD1, OPRK1 ALDH1A1 837/4885HRH3 174/4885TDP1 4648/4885
US-20070112036-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 ALDH1A1 2092/4885HRH3 512/4885TDP1 4460/4885
US-20230133538-A1 TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 MAPT, PSEN1, PSEN2 ALDH1A1 3938/4885HRH3 2989/4885TDP1 379/4885
US-20180155332-A1 SMALL MOLECULE BASED ANTIBODY-RECRUITING COMPOUNDS FOR CANCER TREATMENT PLAUR, C5AR1, C3AR1 ALDH1A1 3982/4885HRH3 1027/4885TDP1 4245/4885
US-20070287751-A1 Opioid Receptor Antagonists OPRK1, OPRM1, OPRD1 ALDH1A1 2190/4885HRH3 469/4885TDP1 4417/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 ALDH1A1 2047/4885HRH3 439/4885TDP1 3984/4885
US-11858925-B2 GAS41 inhibitors and methods of use thereof GAS6, HIF1AN, TMEM41B ALDH1A1 4237/4885HRH3 3775/4885TDP1 3587/4885
US-20070179129-A1 Opioid receptor antagonists OPRK1, OPRM1, OPRL1 ALDH1A1 1658/4885HRH3 711/4885TDP1 4289/4885
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF GLP1R, GIPR, GCGR ALDH1A1 1481/4885HRH3 933/4885TDP1 3766/4885
US-20070010558-A1 Opioid receptor antagonists OPRM1, OPRK1, OPRL1 ALDH1A1 2100/4885HRH3 669/4885TDP1 4428/4885
US-20150297740-A1 VEGF Neutralizing Prodrugs for the Treatment of Ocular Conditions VEGFA, KDR, FLT1 ALDH1A1 805/4885HRH3 1739/4885TDP1 2642/4885

“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.