SCHEMBL5023581

SCHEMBL5023581

CCc1ccc(OCCC(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
MAPK1 P28482 1/20 0.56
EPHX2 P34913 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL14114079 0.90 LMNA (0.54) TDP1MAPK1EPHX2SMN1; SMN2LMNA
SCHEMBL11729484 0.88 TDP1 (0.50) TDP1MAPK1EPHX2SMN1; SMN2LMNA
1,4-Diisopentoxybenzene SCHEMBL2846102 0.87 TDP1 (0.79) TDP1MAPK1EPHX2SMN1; SMN2LMNA
SCHEMBL13959557 0.86 ALOX5 (0.51) TDP1MAPK1EPHX2SMN1; SMN2LMNA
SCHEMBL11734695 0.86 HRH3 (0.49) TDP1MAPK1EPHX2SMN1; SMN2LMNA
SCHEMBL23966332 0.85 TDP1 (0.59) TDP1MAPK1EPHX2SMN1; SMN2LMNA
SCHEMBL5018882 0.84 TDP1 (0.63) TDP1MAPK1EPHX2SMN1; SMN2LMNA
SCHEMBL24089506 0.84 TDP1 (0.63) TDP1MAPK1EPHX2SMN1; SMN2LMNA
1-Isopentyloxy-4-Ethoxybenzene SCHEMBL2839898 0.83 TDP1 (0.68) TDP1MAPK1EPHX2SMN1; SMN2ALDH1A1
SCHEMBL2841624 0.83 TDP1 (0.68) TDP1MAPK1EPHX2SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2019-05-23 US disclosed
US-9901572-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170216263-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-03 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-9108903-B2 Amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-18 US disclosed
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2014-10-16 US disclosed
US-20140221435-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 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 (9 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL TDP1 1637/4885MAPK1 1880/4885EPHX2 2958/4885
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 TDP1 3010/4885MAPK1 2457/4885EPHX2 3404/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 TDP1 3252/4885MAPK1 4/4885EPHX2 2625/4885
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS API5, BIRC5, BAD TDP1 1917/4885MAPK1 2049/4885EPHX2 4044/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 TDP1 2111/4885MAPK1 2318/4885EPHX2 3088/4885
US-20140221435-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS SCN1A, SCN5A, TRPV1 TDP1 3811/4885MAPK1 1882/4885EPHX2 2583/4885
US-20170216263-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 TDP1 4127/4885MAPK1 1083/4885EPHX2 2412/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TDP1 3901/4885MAPK1 477/4885EPHX2 1805/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 TDP1 3252/4885MAPK1 4/4885EPHX2 2625/4885

“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.