SCHEMBL11580701

SCHEMBL11580701

CC(C)CCCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.67
RARB P10826 1/20 0.58
HPGD P15428 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LTA4H P09960 2/20 0.53
HTR1B P28222 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL12746095 0.98 KCNA3 (0.64) KCNA3RARBHPGDHDAC3HDAC4
SCHEMBL11068531 0.98 KCNA3 (0.64) KCNA3RARBHPGDHDAC3HDAC4
SCHEMBL358609 0.98 KCNA3 (0.64) KCNA3RARBHPGDHDAC3HDAC4
SCHEMBL29394668 0.96 KCNA3 (0.61) KCNA3RARBHPGDHDAC3HDAC4
Ethylene SCHEMBL28162451 0.94 KCNA3 (0.59) KCNA3RARBHPGDHDAC3HDAC4
SCHEMBL7449489 0.94 KCNA3 (0.62) KCNA3RARBHPGDHDAC3HDAC4
Ethylene Glycol SCHEMBL27943432 0.91 KCNA3 (0.55) KCNA3RARBHPGDHDAC3HDAC4
Oxirane SCHEMBL8670366 0.89 KCNA3 (0.53) KCNA3RARBHPGDHDAC3HDAC4
SCHEMBL11818753 0.89 KCNA3 (0.53) KCNA3RARBHPGDHDAC3HDAC4
SCHEMBL27936313 0.89 KCNA3 (0.53) KCNA3RARBHPGDHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 US disclosed
US-9221878-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 US disclosed
WO-2015031381-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C ENANTA PHARMACEUTICALS, INC. (US) 2015-03-05 WO disclosed
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity CONNECTICUT, UNIVERSITY OF 2010-09-16 US disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US disclosed
US-4066707-A METHOD FOR MANUFACTURE OF DIPHENOLS AND MONOALKYL ETHERS OF DIPHENOLS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1978-01-03 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 (6 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 KCNA3 1722/4885RARB 1617/4885HPGD 952/4885
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS KCNA3 4233/4885RARB 3875/4885HPGD 3221/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 KCNA3 2485/4885RARB 672/4885HPGD 524/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 KCNA3 1676/4885RARB 2377/4885HPGD 1848/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 KCNA3 1742/4885RARB 1241/4885HPGD 833/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS KCNA3 4233/4885RARB 3875/4885HPGD 3221/4885

“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.