SCHEMBL725527

SCHEMBL725527

O=c1ccc2cnc[nH]c-2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
IDO1 P14902 10/20 0.46
ASIC3 Q9UHC3 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
LTA4H P09960 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL29827246 0.72 CYP2A6 (0.53) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL191327 0.70
SCHEMBL2593988 0.69 IDO1 (0.42) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL17800997 0.69 IDO1 (0.75) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL27880327 0.68 IDO1 (0.67) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
Ethylene SCHEMBL17502485 0.67 CYP3A4 (0.62) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL10616083 0.67 HDAC1 (0.42) MAPTNPSR1
SCHEMBL26265591 0.67 CYP11B1 (0.85) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL1925009 0.65 CYP2A6 (1.00) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9
SCHEMBL26260218 0.65 CYP11B1 (0.82) CYP3A4CYP2E1CYP2D6CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324761-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-07-12 CN disclosed
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-20 US disclosed
EP-4374929-A2 METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL University of Southern California (US) 2024-05-29 EP disclosed
EP-4323070-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-02-21 EP disclosed
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL UNIVERSITY OF SOUTHERN CALIFORNIA 2024-01-18 US disclosed
EP-4281078-A1 PHARMACEUTICAL COMBINATIONS OF SOS1 INHIBITORS FOR TREATING AND/OR PREVENTING CANCER Lupin Limited (IN) 2023-11-29 EP disclosed
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-10-17 US disclosed
CN-116723843-A Pharmaceutical combination of SOS1 inhibitors for the treatment and/or prevention of cancer 鲁宾有限公司 2023-09-08 CN disclosed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 EP disclosed
CN-116535412-A Polycyclic compounds as SOS1 inhibitors 昆药集团股份有限公司 2023-08-04 CN disclosed
US-20130331422-A1 METHODS AND DEVICES FOR USING ISOPERILLY ALCOHOL NEONC TECHNOLOGIES INC. (US) 2013-12-12 US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-20130210877-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES NEONC TECHNOLOGIES INC. (US) 2013-08-15 US disclosed
US-20130203828-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES NEO ONCOLOGY INC. (US) 2013-08-08 US disclosed
EP-2609064-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES Neonc Technologies Inc. (US) 2013-07-03 EP disclosed
WO-2012027693-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES NEONC TECHNOLOGIES INC. (US) 2012-03-01 WO disclosed
EP-1846410-A2 DIHYDROQUINAZOLINONES AS 5HT MODULATORS Bristol-Myers Squibb Company (US) 2007-10-24 EP disclosed
WO-2006086464-A2 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed
WO-1992013092-A1 METHODS OF TRANSCRIPTIONALLY MODULATING EXPRESSION OF HEMATOPOIETIC GROWTH FACTOR GENES ONCOGENE SCIENCE, INC. (US) 1992-08-06 WO disclosed
WO-1992013063-A1 METHODS OF TRANSCRIPTIONALLY MODULATING EXPRESSION OF GROWTH FACTOR GENES AND GROWTH FACTOR RECEPTOR GENES ONCOGENE SCIENCE, INC. (US) 1992-08-06 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 (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-20130203828-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES PLIN3, PLIN5, DOHH CYP3A4 67/4885CYP2E1 88/4885CYP2D6 240/4885
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES PLIN3, PLIN5, PLIN1 CYP3A4 375/4885CYP2E1 90/4885CYP2D6 538/4885
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL PMP22, CHAT, REL CYP3A4 3770/4885CYP2E1 1051/4885CYP2D6 3125/4885
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol PMP22, CHAT, REL CYP3A4 3770/4885CYP2E1 1051/4885CYP2D6 3125/4885
US-20130331422-A1 METHODS AND DEVICES FOR USING ISOPERILLY ALCOHOL ADH1C, CPT1A, ADH5 CYP3A4 215/4885CYP2E1 6/4885CYP2D6 223/4885
US-20130210877-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES PLIN3, PLIN5, DOHH CYP3A4 67/4885CYP2E1 88/4885CYP2D6 240/4885

“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.