SCHEMBL3418110

SCHEMBL3418110

COC1OCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.41
SLC6A4 P31645 16/20 0.40
CYP2D6 P10635 11/20 0.40
SLC6A3 Q01959 5/20 0.40

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
SCHEMBL9151421 0.81 ALDH1A1 (0.43) CYP2D6
SCHEMBL18300145 0.74 KDM1A (0.36) SLC6A2SLC6A4
SCHEMBL23435139 0.74 SLC6A2 (0.40) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL7403358 0.73 BCHE (0.40) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL3216781 0.72 SLC6A2 (0.40) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL6382455 0.72 NPC1 (0.40) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL27415175 0.72 HTR2A (0.39) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL28436751 0.71 BCHE (0.38) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL10616744 0.71 TOP2A (0.33)
SCHEMBL19810459 0.71 SLC6A2 (0.38) SLC6A2SLC6A4CYP2D6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944663-B2 Process for preparing substituted pentacenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-04-17 US claimed
US-20120305854-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US claimed
US-8318048-B2 Process for preparing substituted pentacenes MERCK PATENT GMBH (DE) 2012-11-27 US claimed
EP-2134725-B1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GMBH (DE) 2012-07-04 EP claimed
US-20100127220-A1 Process for Preparing Substituted Pentacenes MERCK PATENT GMBH (DE) 2010-05-27 US claimed
EP-2134725-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES Merck Patent GmbH (DE) 2009-12-23 EP claimed
WO-2008128618-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GMBH (DE) 2008-10-30 WO claimed
CN-111004250-B Synthetic method of 1, 4-epoxy-2, 3-dicyano-1, 2,3, 4-tetrahydronaphthalene 江苏广域化学有限公司 2021-12-31 CN disclosed
CN-111004250-A Synthetic method of 1, 4-epoxy-2, 3-dicyano-1, 2,3, 4-tetrahydronaphthalene 江苏广域化学有限公司 2020-04-14 CN disclosed
US-10174005-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2019-01-08 US disclosed
US-9944663-B2 Process for preparing substituted pentacenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-04-17 US disclosed
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. 2018-02-15 US disclosed
US-20120305854-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
WO-2004106316-A1 METHOD FOR PRODUCING ALKOXYLATED 2,5-DIHYDROFURAN OR TETRA-1,1,4,4-ALKOXYLATED BUT-2-ENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 WO disclosed
EP-0843966-B1 Preparation of aqueous solutions comprising o-phthalaldehyde and glutaraldehyde DSM FINE CHEM AUSTRIA GMBH (AT) 2002-09-11 EP disclosed
EP-0839789-B1 Process for the purification of o-phthalic dialdehyde DSM FINE CHEM AUSTRIA GMBH (AT) 1999-12-15 EP disclosed
US-5874637-A FORMING DIALKOXYPHTHALAN BY ACIDIFICATION, ADDING ALKALINE SOLUTION, SOLVENT EXTRACTION, DISTILLATION, HYDROLYSIS AND CONVERTING BACK TO O-PHTHALALDEHYDE DSM CHEMIE LINZ GMBH (AT) 1999-02-23 US disclosed
US-5872153-A Process for preparing aqueous o-phthalaldehyde-glutaraldehyde solutions DSM CHEMIE LINZ GMBH (AT) 1999-02-16 US disclosed
EP-0843966-A1 Preparation of aqueous solutions comprising o-phthalaldehyde and glutaraldehyde DSM Chemie Linz GmbH (AT) 1998-05-27 EP disclosed
EP-0839789-A1 Process for the purification of o-phthalic dialdehyde DSM Chemie Linz GmbH (AT) 1998-05-06 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 (4 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-10174005-B2 Fused pyrimidines as inhibitors of p97 complex WDR77, POP1, PSMG3 SLC6A2 4091/4885SLC6A4 4129/4885CYP2D6 2699/4885
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 SLC6A2 4071/4885SLC6A4 4118/4885CYP2D6 2685/4885
US-20100127220-A1 Process for Preparing Substituted Pentacenes FES, PFAS, SLC46A1 SLC6A2 161/4885SLC6A4 35/4885CYP2D6 2374/4885
US-20120305854-A1 PROCESS FOR PREPARING SUBSTITUTED PENTACENES FES, PFAS, SLC46A1 SLC6A2 161/4885SLC6A4 35/4885CYP2D6 2374/4885

“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.