SCHEMBL9917371

SCHEMBL9917371

COC(=O)C1CCCN1CCCOC(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PEPD P12955 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ FKBP1A P62942 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL9917367 0.92 LTA4H (0.52) LTA4HALDH1A1TSHRPOLBPEPD
SCHEMBL9917376 0.86 RAB9A (0.43) LTA4HALDH1A1TSHRHSD17B10PEPD
SCHEMBL9921435 0.85 LTA4H (0.51) LTA4HALDH1A1TSHRNR1I2POLB
SCHEMBL10118346 0.83 TSHR (0.44) ALDH1A1TSHRNR1I2HSD17B10POLB
SCHEMBL9288792 0.82 LTA4H (0.46) LTA4HALDH1A1TSHRNR1I2POLB
SCHEMBL15434618 0.81 NR1I2 (0.54) LTA4HTSHRNR1I2POLBFKBP1A
SCHEMBL14115082 0.81 NR1I2 (0.54) LTA4HTSHRNR1I2POLBFKBP1A
SCHEMBL13995592 0.80 LTA4H (0.48) LTA4HALDH1A1POLBPEPDFKBP1A
SCHEMBL13995210 0.80 LTA4H (0.48) LTA4HALDH1A1POLBPEPDFKBP1A
SCHEMBL19571179 0.80 LTA4H (0.48) LTA4HALDH1A1POLBPEPDFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 — — US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 — — US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 — — US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 — — US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 — — US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 — — 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 (3 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885ALDH1A1 2855/4885TSHR 4766/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885ALDH1A1 2855/4885TSHR 4766/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LTA4H 2558/4885ALDH1A1 2855/4885TSHR 4766/4885

“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.

Send feedback