SCHEMBL2016698

SCHEMBL2016698

CC1(C)CCCc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
APP P05067 1/20 0.43
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
PNMT P11086 2/20 0.38
ASIC3 Q9UHC3 1/20 0.38
KDM1A O60341 4/20 0.38
PTPN1 P18031 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
TDP2 O95551 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PARP1 P09874 1/20 0.35
PDE4B Q07343 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
Naphthalene SCHEMBL8668696 0.92 CYP2A6 (0.40) BACE1APPRXRARXRBRXRG
SCHEMBL2223847 0.89 KDM1A (0.43) BACE1APPPNMTASIC3KDM1A
SCHEMBL2012588 0.87 BACE1 (0.51) BACE1APPRXRARXRBRXRG
SCHEMBL17028624 0.82 PGR (0.48) BACE1APPPNMTASIC3KDM1A
SCHEMBL6674280 0.81 BACE1 (0.47) BACE1APPRXRARXRBRXRG
SCHEMBL19764436 0.80 KDM1A (0.48) BACE1APPPNMTASIC3KDM1A
SCHEMBL17028703 0.80 BACE1 (0.40) BACE1APPPNMTASIC3KDM1A
SCHEMBL213183 0.79 SIGMAR1 (0.47) RXRARXRBRXRGKDM1ACDC25A
Hydrochloric Acid SCHEMBL9190644 0.78 SIGMAR1 (0.48) RXRARXRBRXRGKDM1ACDC25A
Phosphine SCHEMBL5925750 0.78 SIGMAR1 (0.46) RXRARXRBRXRGKDM1ACDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed
EP-2920166-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN Array Biopharma, Inc. (US) 2015-09-23 EP disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-5618943-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 US disclosed
US-5618931-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 US disclosed
US-5605915-A TREATING SKIN DISORDERS ALLERGAN 1997-02-25 US disclosed
US-5599967-A SKIN DISORDERS, VISION DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-02-04 US disclosed
US-5591858-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN 1997-01-07 US disclosed
WO-1996033716-A1 RARβ SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY ALLERGAN (US) 1996-10-31 WO disclosed
US-5543534-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-08-06 US disclosed
WO-1996020930-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
US-5514825-A SYNTHETIC RETINOIDS ALLERGAN, INC. (US) 1996-05-07 US disclosed
US-5489584-A ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS; TREATING SKIN DISORDER, CARDIOVASCULAR DISORDER ALLERGAN, INC. (US) 1996-02-06 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 (2 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 BACE1 823/4885APP 572/4885RXRA 674/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 BACE1 1003/4885APP 524/4885RXRA 616/4885

“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.