SCHEMBL10071098

SCHEMBL10071098

CC1(C)c2cc(Br)ccc2-c2ccc(C=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
ALDH1A3 P47895 4/20 0.36
PDK2 Q15119 1/20 0.35
S100A4 P26447 1/20 0.34
TSHR P16473 1/20 0.34
ERN1 O75460 1/20 0.34
ALDH3A1 P30838 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP2 O95551 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 2/20 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
SCHEMBL29466108 1.00 ALDH1A1 (0.44) ALDH1A1ALDH1A3PDK2S100A4TSHR
SCHEMBL12934281 0.89 ALDH1A1 (0.41) ALDH1A1ALDH1A3TSHRKDM4EPTGS2
SCHEMBL29588873 0.89 ALDH1A1 (0.41) ALDH1A1ALDH1A3TSHRKDM4EPTGS2
SCHEMBL10039375 0.86 ALDH1A1 (0.47) ALDH1A1ALDH1A3PDK2S100A4TSHR
SCHEMBL204806 0.83 PDK2 (0.44) PDK2S100A4AKR1A1AKR1B1TDP2
SCHEMBL29403081 0.83 PDK2 (0.44) PDK2S100A4AKR1A1AKR1B1TDP2
SCHEMBL29587737 0.83 PDK2 (0.44) PDK2S100A4AKR1A1AKR1B1TDP2
SCHEMBL29294764 0.83 ALDH1A1 (0.44) ALDH1A1ALDH1A3PDK2S100A4ERN1
SCHEMBL12267895 0.83 CYP2C19 (0.41) ALDH1A1PDK2KDM4ERAB9AMAOA
SCHEMBL1085980 0.82 ALDH1A1 (0.41) ALDH1A1ALDH1A3PDK2S100A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011658-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
WO-2023011657-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
CN-113666969-B Self-repairing platinum metal gel material and preparation method and application thereof 南京工业大学 2022-04-12 CN disclosed
CN-113666969-A Self-repairing platinum metal gel material and preparation method and application thereof 南京工业大学 2021-11-19 CN disclosed
US-10040887-B2 Copolymer, organic light-emitting device material including the same, and organic light-emitting device including the organic light-emitting device material SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-08-07 US disclosed
US-20170183439-A1 COPOLYMER, ORGANIC LIGHT-EMITTING DEVICE MATERIAL INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE MATERIAL SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-29 US disclosed
US-20170183439-A1 COPOLYMER, ORGANIC LIGHT-EMITTING DEVICE MATERIAL INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE MATERIAL SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-29 US disclosed
US-8969593-B2 Organic dyes and photoelectric conversion devices INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-03-03 US disclosed
US-8969593-B2 Organic dyes and photoelectric conversion devices INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-03-03 US disclosed
US-8932735-B2 Aromatic amine derivative and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-13 US disclosed
US-20110233534-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110233534-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-09-29 US disclosed
US-20100292488-A1 ORGANIC DYES AND PHOTOELECTRIC CONVERSION DEVICES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-11-18 US disclosed
US-20100292488-A1 ORGANIC DYES AND PHOTOELECTRIC CONVERSION DEVICES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-11-18 US disclosed
EP-2189508-A2 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-05-26 EP disclosed
US-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-25 US disclosed
US-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-25 US disclosed
US-20100019657-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-01-28 US disclosed
EP-2075309-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-07-01 EP disclosed
WO-2007086701-A1 ELECTROLUMINESCENT COMPOUNDS COMPRISING FLUORENE GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2007-08-02 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 (4 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-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOC2, SCO2, C1S ALDH1A1 468/4885ALDH1A3 2319/4885PDK2 2258/4885
US-20100292488-A1 ORGANIC DYES AND PHOTOELECTRIC CONVERSION DEVICES KCNH3, HCN3, KCNH2 ALDH1A1 2324/4885ALDH1A3 1022/4885PDK2 3806/4885
US-20110233534-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AR, EML4, NAP1L4 ALDH1A1 911/4885ALDH1A3 2284/4885PDK2 3011/4885
US-20100019657-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ODC1 ALDH1A1 65/4885ALDH1A3 770/4885PDK2 1591/4885

“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.