SCHEMBL6416737

SCHEMBL6416737

Brc1ccc(-c2ccc(-c3ccc(Br)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP2A6 P11509 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
SNCA P37840 2/20 0.42
PRF1 P14222 1/20 0.42
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
PAFAH1B2 P68402 1/20 0.41

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
SCHEMBL13480678 0.97 APP (0.52) APPESR1ESR2CYP2A6ALDH1A1
SCHEMBL10041710 0.90 ALDH1A1 (0.64) APPESR1ESR2CYP2A6ALDH1A1
SCHEMBL14192244 0.88 ALDH1A1 (0.68) APPESR1ESR2CYP2A6ALDH1A1
SCHEMBL12700858 0.88 ALDH1A1 (0.61) APPESR1ESR2CYP2A6ALDH1A1
SCHEMBL23004796 0.86 RAB9A (0.50) APPESR1ESR2PRF1PAFAH1B2
SCHEMBL14192242 0.83 PGR (0.41) APPESR1ESR2ALDH1A1MAPK1
SCHEMBL28596238 0.82 APP (0.40) APPESR1ESR2ALDH1A1MAPK1
SCHEMBL28601516 0.79 CYP2A6 (0.58) CYP2A6ALDH1A1
SCHEMBL12372846 0.78 APP (0.58) APPESR1ESR2CYP2A6ALDH1A1
SCHEMBL18938968 0.78 APP (0.54) APPESR1ESR2CYP2A6ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486854-A One-pot method for preparing 2, 5-diaryl substituted thiophene 浙江大学 2024-02-02 CN claimed
EP-4357332-B1 COMPOUND, PREPARATION METHOD THEREFOR, USE THEREOF, AND PEROVSKITE SOLAR CELL COMPRISING SAME CONTEMPORARY AMPEREX TECHNOLOGY HONG KONG LTD (HK) 2026-04-22 EP disclosed
US-12439765-B2 Compound, preparation method and use thereof and perovskite solar cell containing same CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2025-10-07 US disclosed
CN-115819365-B Organic compound, solar cell and preparation method thereof 宁德时代新能源科技股份有限公司 2024-10-18 CN disclosed
US-20240292639-A1 COMPOUND, PREPARATION METHOD AND USE THEREOF AND PEROVSKITE SOLAR CELL CONTAINING SAME CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2024-08-29 US disclosed
CN-118556040-A Compound, preparation method and application thereof, and perovskite solar cell comprising compound 宁德时代新能源科技股份有限公司 2024-08-27 CN disclosed
EP-4357332-A1 COMPOUND, PREPARATION METHOD THEREFOR, USE THEREOF, AND PEROVSKITE SOLAR CELL COMPRISING SAME Contemporary Amperex Technology Co., Limited (CN) 2024-04-24 EP disclosed
CN-117486854-A One-pot method for preparing 2, 5-diaryl substituted thiophene 浙江大学 2024-02-02 CN disclosed
WO-2024016317-A1 COMPOUND, PREPARATION METHOD THEREFOR, USE THEREOF, AND PEROVSKITE SOLAR CELL COMPRISING SAME 宁德时代新能源科技股份有限公司 2024-01-25 WO disclosed
WO-2024016317-A1 COMPOUND, PREPARATION METHOD THEREFOR, USE THEREOF, AND PEROVSKITE SOLAR CELL COMPRISING SAME 宁德时代新能源科技股份有限公司 2024-01-25 WO disclosed
CN-115819365-A Organic compound, solar cell and preparation method thereof 宁德时代新能源科技股份有限公司 2023-03-21 CN disclosed
US-8450723-B2 Apparatus having an aromatic dielectric and an aromatic organic semiconductor including an alkyl chain ALCATEL LUCENT (FR) 2013-05-28 US disclosed
US-8410241-B2 Optical devices and their manufacture CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-04-02 US disclosed
US-8410241-B2 Optical devices and their manufacture CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-04-02 US disclosed
US-20100230659-A1 Optical Devices and Their Manufacture CAMBRIDGE DISPLAY TECHNOLOGY (GB) 2010-09-16 US disclosed
US-20100230659-A1 Optical Devices and Their Manufacture CAMBRIDGE DISPLAY TECHNOLOGY (GB) 2010-09-16 US disclosed
US-20050093031-A1 Devices having large organic semiconductor crystals and methods of making the same LUCENT TECHNOLOGIES, INC. (US) 2005-05-05 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 (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-20100230659-A1 Optical Devices and Their Manufacture ARNT, STRA6, MITF APP 843/4885ESR1 426/4885ESR2 1046/4885
US-12439765-B2 Compound, preparation method and use thereof and perovskite solar cell containing same SLC9B2, SLC9A2, SLC9A5 APP 1765/4885ESR1 853/4885ESR2 2790/4885
US-20240292639-A1 COMPOUND, PREPARATION METHOD AND USE THEREOF AND PEROVSKITE SOLAR CELL CONTAINING SAME SLC9B2, SLC9A2, SLC9A5 APP 1765/4885ESR1 853/4885ESR2 2790/4885

“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.