SCHEMBL8512

SCHEMBL8512

O=C(O)Cc1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RGS12 O14924 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
GNAI1 P63096 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45

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
Hydrochloric Acid SCHEMBL3297493 0.98 AKR1B1 (0.46) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL585478 0.87 HCAR1 (0.50) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL1401565 0.87 CYP4F2 (0.49) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL867785 0.85 AGBL2 (0.43) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL156863 0.85 FFAR4 (0.43) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL1244833 0.85 RXRA (0.41) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL27830212 0.85 RXRA (0.41) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL10241639 0.85 THRB (0.43) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL1560270 0.85 AKR1B1 (0.49) AKR1B1RXRARXRBRXRGLMNA
SCHEMBL5907106 0.82 MEN1 (0.41) RXRARXRBRXRGNR3C1CES2

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 1186 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527108-B Process for preparing optically pure 5, 7-difluoro-1, 2,3, 4-tetrahydronaphthalen-2-amine and salts thereof 斯芬克司药物研发(天津)股份有限公司 2022-10-25 CN claimed
CN-109809383-B Synthesis method of cabbage black rot pathogen resistant selenium carbon material 扬州大学 2022-03-22 CN claimed
CN-113527108-A Process for preparing optically pure 5, 7-difluoro-1, 2,3, 4-tetrahydronaphthalen-2-amine and salts thereof 斯芬克司药物研发(天津)股份有限公司 2021-10-22 CN claimed
CN-111018663-A Nepitastat important intermediate and enzyme catalytic synthesis method thereof 苏州凯瑞医药科技有限公司 2020-04-17 CN claimed
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
CN-109809383-A A kind of synthetic method of anti-cabbage black rot bacterium selenium carbon material 扬州大学 2019-05-28 CN claimed
CN-106631728-A Method for preparing 3,5-difluorobenzaldehyde by 3,5-difluorotoluene continuous oxidation 常州大学 2017-05-10 CN claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
CN-103058931-B Four 2-(3', 5'-dihalo-benzyl) benzimidazole type novel compounds and preparation method thereof GUANGDONG TONESET SCIENCE & TECHNOLOGY CO LTD 2015-07-01 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7276496-B2 Cyclic malonamides as inhibitors of Aβ protein protection BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 US claimed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 US claimed

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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 AKR1B1 1963/4885RXRA 577/4885RXRB 407/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 AKR1B1 2784/4885RXRA 761/4885RXRB 1343/4885

“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.