SCHEMBL2390

SCHEMBL2390

COc1cc(CC(C)C(C)Cc2ccc(OC)c(OC)c2)ccc1O

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.90
TTR P02766 2/20 0.90
JUN P05412 2/20 0.90
NR3C1 P04150 2/20 0.90
HSD17B1 P14061 2/20 0.90
HSD17B2 P37059 2/20 0.90
ALOX15 P16050 6/20 0.85
ALOX12 P18054 6/20 0.85
MAPT P10636 2/20 0.66
GAA P10253 1/20 0.66
ATM Q13315 1/20 0.66
CYP3A4 P08684 3/20 0.64
MMP1 P03956 1/20 0.64
MAPK1 P28482 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
ESR1 P03372 2/20 0.58
TP53 P04637 2/20 0.58
HPGD P15428 2/20 0.58

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
SCHEMBL16917560 1.00 FOS (0.90) FOSTTRJUNNR3C1HSD17B1
SCHEMBL31237435 1.00 FOS (0.90) FOSTTRJUNNR3C1HSD17B1
Dihydroguaiaretic Acid SCHEMBL9087980 0.95 FOS (1.00) FOSTTRJUNNR3C1HSD17B1
Mesodihydroguaiaretic Acid SCHEMBL974725 0.95 FOS (1.00) FOSTTRJUNNR3C1HSD17B1
SCHEMBL22040032 0.92 ALOX15 (1.00) FOSTTRJUNNR3C1HSD17B1
SCHEMBL13309003 0.90 ALOX15 (1.00) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4639890 0.90 ALOX15 (1.00) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29794171 0.90 ALOX15 (1.00) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29929344 0.90 ALOX15 (1.00) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4640898 0.90 ALOX15 (0.90) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40246-E1 Method for the suppression of viral growth JOHN HOPKINS UNIVERSITY (US) 2008-04-15 US claimed
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 EP disclosed
EP-3184527-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL LILLY CO ELI (US) 2020-01-29 EP disclosed
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 US disclosed
US-20180051020-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 HYDRA BIOSCIENCES INC (US) 2018-02-22 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-08-10 US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
WO-2006122156-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2006-11-16 WO disclosed
US-20060141046-A1 Particles for the delivery of active agents IVREA PHARMACEUTICALS, INC. (US) 2006-06-29 US disclosed
US-20050281886-A1 Particles for the delivery of active agents IVREA PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
WO-2005107710-A2 PARTICLES FOR THE DELIVERY OF ACTIVE AGENTS IVREA PHARMACEUTICALS, INC. (US) 2005-11-17 WO disclosed
US-6365787-B1 CREOSOTE BUSH LARREA TRIDENTATA EXTRACTS OF 1,4-BIS-(3,4-DIHYDROXY-PHENYL)-2,3-DIMETHYLBUTANE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2002-04-02 US disclosed
US-5663209-A Compounds for the suppression of HIV Tat transactivation THE JOHNS HOPKINS UNIVERSITY (US) 1997-09-02 US disclosed
EP-0783474-A4 1997-08-27 EP disclosed
EP-0783474-A1 COMPOUNDS FOR THE SUPPRESSION OF HIV TAT TRANSACTIVATION THE JOHNS-HOPKINS UNIVERSITY (US) 1997-07-16 EP disclosed
WO-1996010549-A9 COMPOUNDS FOR THE SUPPRESSION OF HIV TAT TRANSACTIVATION 1996-06-06 WO disclosed
WO-1996010549-A1 COMPOUNDS FOR THE SUPPRESSION OF HIV TAT TRANSACTIVATION THE JOHNS-HOPKINS UNIVERSITY (US) 1996-04-11 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 (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-20180051020-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 TRPA1, TRPV1, TRPV2 FOS 1855/4885TTR 1179/4885JUN 2994/4885
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 FOS 318/4885TTR 3996/4885JUN 1071/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 FOS 1921/4885TTR 670/4885JUN 2647/4885
US-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 FOS 715/4885TTR 1278/4885JUN 1770/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 FOS 715/4885TTR 1278/4885JUN 1770/4885

“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.