SCHEMBL2224319

SCHEMBL2224319

CC1(C)CC(C)(C)c2cc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
PDE4B Q07343 1/20 0.35
CMA1 P23946 1/20 0.34
AHR P35869 1/20 0.34
BACE1 P56817 6/20 0.34
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSD P07339 1/20 0.33
TSHR P16473 1/20 0.32
TDP2 O95551 1/20 0.32
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL13589140 0.87 PDE4B (0.33) KDM1APDE4BCMA1AHRBACE1
SCHEMBL29945228 0.86 RXRA (0.44) RARBRARGRXRARXRBRXRG
SCHEMBL1140723 0.86 RXRA (0.44) RARBRARGRXRARXRBRXRG
SCHEMBL24806898 0.84 BACE1 (0.34) KDM1APDE4BCMA1AHRBACE1
SCHEMBL28731464 0.81 TAAR1 (0.33) KDM1APDE4BBACE1TSHRAPP
SCHEMBL20553759 0.81 TAAR1 (0.33) KDM1APDE4BBACE1TSHRAPP
SCHEMBL9418964 0.79 CMA1 (0.42) PDE4BCMA1AHRBACE1RARB
SCHEMBL5737717 0.77 RARA (0.46) KDM1ABACE1RARBRARGCTSD
SCHEMBL18015415 0.75 NPC1 (0.37) PDE4BBACE1RARBRARGRXRA
SCHEMBL15416300 0.75 RXRA (0.37) RARBRARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
US-20240260448-A1 Metal Complexes UDC IRELAND LIMITED (IE) 2024-08-01 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
WO-2023179094-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE COMPRISING SAME 北京莱特众成光电材料科技有限公司 2023-09-28 WO disclosed
WO-2023124205-A1 ORGANIC COMPOUNDS, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-06 WO disclosed
US-20230189646-A1 POLYCYCLIC AROMATIC COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME SFC CO., LTD (KR) 2023-06-15 US disclosed
US-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-04-06 US disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 WO disclosed
CN-101679286-B Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO 2011-06-08 CN disclosed
CN-101928281-A Bicyclo-substituted pyrazolone azo derivative, preparation method thereof and application thereof in medicaments SHANGHAI HENGRUI PHARM CO LTD 2010-12-29 CN disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed
US-4980509-A Aromatic polycyclic derivatives, their process of preparation and their use in human and veterinary medicine and in cosmetics SOCIETE ANONYME DITE: L'OREAL (FR) 1990-12-25 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 (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-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC2, VDAC3, KCNC1 KDM1A 2781/4885PDE4B 3801/4885CMA1 4546/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK KDM1A 3944/4885PDE4B 1542/4885CMA1 760/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 KDM1A 3802/4885PDE4B 3285/4885CMA1 4248/4885
US-20230189646-A1 POLYCYCLIC AROMATIC COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME DDC, DDT, AHR KDM1A 1479/4885PDE4B 3756/4885CMA1 3639/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 KDM1A 3005/4885PDE4B 4849/4885CMA1 1082/4885
US-20240260448-A1 Metal Complexes SOD1, AP1M1, AP3M1 KDM1A 4098/4885PDE4B 4790/4885CMA1 3637/4885

“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.