SCHEMBL5826744

SCHEMBL5826744

CC[CH]CC(CC)CCC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL304826 0.86 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL4920279 0.85 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL4618360 0.83
SCHEMBL9210989 0.81 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL7758121 0.80 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL28198758 0.80
SCHEMBL304763 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL15169922 0.77 ALDH1A1 (0.31) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL3891259 0.76
SCHEMBL28100023 0.75 TSHR (0.38) ALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202322-B2 Resorcinol derivatives SUTTER BAY HOSPITALS (US) 2019-02-12 US claimed
US-20180170846-A1 RESORCINOL DERIVATIVES SUTTER WEST BAY HOSPITALS 2018-06-21 US claimed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP claimed
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP claimed
US-20130209483-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS (US) 2013-08-15 US claimed
WO-2023067251-A1 COMPOSITION FOR USE IN THE CUTANEOUS SYNTHESIS OF HYALURONIC ACID, IN AN IMMUNO-CUTANEOUS RESPONSE AND TO IMPROVE SKIN JR (FR) 2023-04-27 WO disclosed
EP-4106759-A1 MASITINIB FOR THE TREATMENT OF A MULTIPLE SCLEROSIS PATIENT SUBPOPULATION AB Science (FR) 2022-12-28 EP disclosed
EP-4069230-A1 USE OF MASITINIB FOR THE TREATMENT OF EOSINOPHILIC ASTHMA AB Science (FR) 2022-10-12 EP disclosed
WO-2021110737-A1 USE OF MASITINIB FOR THE TREATMENT OF EOSINOPHILIC ASTHMA AB SCIENCE (FR) 2021-06-10 WO disclosed
US-10202322-B2 Resorcinol derivatives SUTTER BAY HOSPITALS (US) 2019-02-12 US disclosed
US-20180170846-A1 RESORCINOL DERIVATIVES SUTTER WEST BAY HOSPITALS 2018-06-21 US disclosed
US-9809521-B2 Cannabidinoid derivatives SUTTER WEST BAY HOSPITALS (US) 2017-11-07 US disclosed
US-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP 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-10202322-B2 Resorcinol derivatives CNR1, CNR2, RCOR1 ALDH1A1 1955/4885TDP1 3021/4885CYP3A4 336/4885
US-20130209483-A1 CANNABIDINOID DERIVATIVES CNR2, CNR1, GPR18 ALDH1A1 3491/4885TDP1 2676/4885CYP3A4 1389/4885
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 ALDH1A1 3091/4885TDP1 4794/4885CYP3A4 1089/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 ALDH1A1 3794/4885TDP1 4843/4885CYP3A4 1808/4885
US-20180170846-A1 RESORCINOL DERIVATIVES CNR1, CNR2, RCOR1 ALDH1A1 1955/4885TDP1 3021/4885CYP3A4 336/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 ALDH1A1 3794/4885TDP1 4843/4885CYP3A4 1808/4885

“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.