SCHEMBL9857240

SCHEMBL9857240

CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.90
ESR2 Q92731 6/20 0.90
ESRRG P62508 6/20 0.90
MAPT P10636 3/20 0.90
CYP3A4 P08684 3/20 0.90
ESRRB O95718 3/20 0.90
MEN1 O00255 2/20 0.90
TP53 P04637 2/20 0.90
KMT2A Q03164 2/20 0.90
PGR P06401 2/20 0.90
KDM4E B2RXH2 1/20 0.90
ALDH1A1 P00352 1/20 0.90
LMNA P02545 1/20 0.90
HIF1A Q16665 1/20 0.90
NPSR1 Q6W5P4 1/20 0.90
PLD2 O14939 1/20 0.90
PLD1 Q13393 1/20 0.90
HDAC6 Q9UBN7 5/20 0.80
CYP1A2 P05177 2/20 0.80
CYP2D6 P10635 2/20 0.80

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
SCHEMBL9857837 1.00 ESR1 (0.90) ESR1ESR2ESRRGMAPTCYP3A4
SCHEMBL9857247 1.00 ESR1 (0.90) ESR1ESR2ESRRGMAPTCYP3A4
SCHEMBL15668666 0.95 ESR1 (1.00) ESR1ESR2ESRRGMAPTCYP3A4
SCHEMBL2165503 0.95 ESR1 (1.00) ESR1ESR2ESRRGMAPTCYP3A4
Afimoxifene SCHEMBL640496 0.95 ESR1 (1.00) ESR1ESR2ESRRGMAPTCYP3A4
SCHEMBL7799603 0.95 ESR1 (0.81) ESR1ESR2ESRRGMAPTCYP3A4
SCHEMBL10828052 0.95 ESR1 (0.81) ESR1ESR2ESRRGMAPTCYP3A4
SCHEMBL10827999 0.95 ESR1 (0.81) ESR1ESR2ESRRGMAPTCYP3A4
Afimoxifene SCHEMBL9189 0.95 ESR1 (1.00) ESR1ESR2ESRRGMAPTCYP3A4
Afimoxifene SCHEMBL2132301 0.95 ESR1 (1.00) ESR1ESR2ESRRGMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272330-B1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1991-05-22 EP claimed
US-20220117982-A1 TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES SHANGHAITECH UNIVERSITY (CN) 2022-04-21 US disclosed
US-20220117982-A1 TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES SHANGHAITECH UNIVERSITY (CN) 2022-04-21 US disclosed
CN-110357889-B Protein degradation targeting compound, anti-tumor application thereof, intermediate thereof and application of intermediate 上海科技大学 2022-03-15 CN disclosed
EP-3778590-A1 PROTEIN DEGRADATION TARGETING COMPOUND, ANTI-TUMOR APPLICATION, INTERMEDIATE THEREOF AND USE OF INTERMEDIATE ShanghaiTech University (CN) 2021-02-17 EP disclosed
EP-3778590-A1 PROTEIN DEGRADATION TARGETING COMPOUND, ANTI-TUMOR APPLICATION, INTERMEDIATE THEREOF AND USE OF INTERMEDIATE ShanghaiTech University (CN) 2021-02-17 EP disclosed
WO-2019196812-A1 PROTEIN DEGRADATION TARGETING COMPOUND, ANTI-TUMOR APPLICATION, INTERMEDIATE THEREOF AND USE OF INTERMEDIATE 上海科技大学 2019-10-17 WO disclosed
WO-2012119010-A9 MATERIALS FOR INHIBITING AROMATASE AND METHOD OF USING THE SAME TO DIAGNOSE, TREAT AND MONITOR BREAST CANCER INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-01-31 WO disclosed
WO-2012119010-A9 MATERIALS FOR INHIBITING AROMATASE AND METHOD OF USING THE SAME TO DIAGNOSE, TREAT AND MONITOR BREAST CANCER INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-01-31 WO disclosed
WO-2012119010-A3 MATERIALS FOR INHIBITING AROMATASE AND METHOD OF USING THE SAME TO DIAGNOSE, TREAT AND MONITOR BREAST CANCER INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-12-13 WO disclosed
WO-2012119010-A2 MATERIALS FOR INHIBITING AROMATASE AND METHOD OF USING THE SAME TO DIAGNOSE, TREAT AND MONITOR BREAST CANCER INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-09-07 WO disclosed
WO-2012119010-A2 MATERIALS FOR INHIBITING AROMATASE AND METHOD OF USING THE SAME TO DIAGNOSE, TREAT AND MONITOR BREAST CANCER INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-09-07 WO disclosed
EP-0272330-B1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1991-05-22 EP disclosed
US-4897503-A ANTITUMOR AGENTS; TREATING MAMMARY CANCER AND ANOVULATORY INFERTILITY TAIHO PHARMACEUTICAL (JP) 1990-01-30 US disclosed
EP-0272330-A1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-29 EP 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 (1 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-20220117982-A1 TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES UFM1, SUMO1, SUMO2 ESR1 2864/4885ESR2 1256/4885ESRRG 1080/4885

“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.