SCHEMBL881209

SCHEMBL881209

CC(C)(CBr)CC(C)(C)CBr

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9058195 0.87 TSHR (0.33)
SCHEMBL13018008 0.85
SCHEMBL8175429 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13447352 0.84
SCHEMBL13917872 0.84
SCHEMBL1975737 0.82
SCHEMBL10222591 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19265365 0.82 TSHR (0.30)
SCHEMBL24747411 0.80 CYP2D6 (0.32)
SCHEMBL21726284 0.80

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
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
WO-2017152857-A1 INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR CONTAINING NITROGEN ALKYLATED AND ARYLATED SULPHOXIDE IMINES 中国科学院上海有机化学研究所 2017-09-14 WO disclosed
EP-2066329-B1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOBUTYLMETHYLAMINES REVIVA PHARMACEUTICALS INC (US) 2017-09-06 EP disclosed
EP-2875021-B1 BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS UNIV SAINT LOUIS (US) 2017-08-23 EP disclosed
US-20170000712-A1 SUNLESS TANNING COMPOUNDS AND COMPOSITIONS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-01-05 US disclosed
US-9403778-B2 Agents that prevent or repair skin damage REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-08-02 US disclosed
WO-2015003095-A1 SUNLESS TANNING COMPOUNDS AND COMPOSITIONS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-01-08 WO disclosed
US-20140350036-A1 AGENTS THAT PREVENT OR REPAIR SKIN DAMAGE REGENTS OF THE UNIVERSITY OF MINNESOTA 2014-11-27 US disclosed
US-20120253034-A1 PYRROLO[2,1-C][1,4]BENZODIAZEPINE LINKED IMIDAZO[1,5-A]PYRIDINE CONJUGATES AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-10-04 US disclosed
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
WO-2010091268-A1 PYRROLIDINE TRIPLE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2010-08-12 WO disclosed
WO-2008034142-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 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 (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-20120253034-A1 PYRROLO[2,1-C][1,4]BENZODIAZEPINE LINKED IMIDAZO[1,5-A]PYRIDINE CONJUGATES AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF GABRA3, GABRA5, GABRA1 ALDH1A1 348/4885
US-20170000712-A1 SUNLESS TANNING COMPOUNDS AND COMPOSITIONS TYR, SUN2, ERCC4 ALDH1A1 1404/4885
US-20140350036-A1 AGENTS THAT PREVENT OR REPAIR SKIN DAMAGE OGG1, ERCC4, ERCC1 ALDH1A1 150/4885

“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.