SCHEMBL8294115

SCHEMBL8294115

CC(C)CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
LTA4H P09960 6/20 0.52
SLC2A1 P11166 1/20 0.49
TSHR P16473 1/20 0.46
SRD5A2 P31213 1/20 0.46
FDFT1 P37268 1/20 0.46
BCHE P06276 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL11295128 0.92 HTT (0.46) FFAR1MMP12MMP13
SCHEMBL10798983 0.85 BCHE (0.50) LTA4HSLC2A1BCHE
SCHEMBL18714850 0.84 FDFT1 (0.53) FFAR1FDFT1
SCHEMBL11420676 0.82 MMP12 (0.48) FFAR1MMP12MMP13LTA4HSLC2A1
SCHEMBL167715 0.81 AOC3 (0.55) TSHR
SCHEMBL19322270 0.81 LTA4H (0.67) FFAR1MMP12MMP13LTA4HTSHR
Benzene SCHEMBL27914804 0.81 AOC3 (0.55) TSHR
SCHEMBL10085324 0.80 BCHE (0.68) FFAR1MMP12LTA4HBCHEFFAR4
SCHEMBL9252743 0.80 LTA4H (0.55) FFAR1LTA4HSLC2A1TSHR
Ammonia Solution, Strong SCHEMBL4461727 0.79 AOC3 (0.53) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11633385-B2 Combination compositions for treatment of cancer REDHILL BIOPHARMA LTD. (IL) 2023-04-25 US disclosed
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA REDHILL BIOPHARMA LTD (IL) 2021-12-02 US disclosed
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER REDHILL BIOPHARMA LTD (IL) 2021-05-06 US disclosed
US-10946000-B2 Method for treating cancer with combination therapy REDHILL BIOPHARMA LTD. (IL) 2021-03-16 US disclosed
US-10543222-B2 Therapy for inhibition of single-stranded RNA virus replication REDHILL BIOPHARMA LTD. (IL) 2020-01-28 US disclosed
US-10463654-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2019-11-05 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-9974800-B2 Therapy for inhibition of single-stranded RNA virus replication REDHILL BIOPHARMA LTD. (IL) 2018-05-22 US disclosed
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD (IL) 2018-05-10 US disclosed
US-9844540-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2017-12-19 US disclosed
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD. (IL) 2017-04-06 US disclosed
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 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 (11 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-10543222-B2 Therapy for inhibition of single-stranded RNA virus replication RNMT, EIF2AK2, POLRMT FFAR1 3198/4885MMP12 2849/4885MMP13 2587/4885
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 FFAR1 4298/4885MMP12 4481/4885MMP13 4238/4885
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER TPMT, KRAS, ACE FFAR1 3395/4885MMP12 276/4885MMP13 3525/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 FFAR1 1495/4885MMP12 2992/4885MMP13 4318/4885
US-10946000-B2 Method for treating cancer with combination therapy TPMT, KRAS, SDHA FFAR1 3415/4885MMP12 562/4885MMP13 3948/4885
US-11633385-B2 Combination compositions for treatment of cancer KRAS, TPMT, CYP2D6 FFAR1 3328/4885MMP12 675/4885MMP13 4150/4885
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER KRAS, TPMT, CYP2D6 FFAR1 3328/4885MMP12 675/4885MMP13 4150/4885
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 FFAR1 4298/4885MMP12 4481/4885MMP13 4238/4885
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER KRAS, ACE, TPMT FFAR1 3354/4885MMP12 706/4885MMP13 3452/4885
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA SPHK2, SPHK1, S1PR2 FFAR1 1495/4885MMP12 2992/4885MMP13 4318/4885
US-10463654-B2 Combination therapies for treating cancer TPMT, KRAS, ACE FFAR1 3395/4885MMP12 276/4885MMP13 3525/4885

“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.