SCHEMBL18972865

SCHEMBL18972865

COc1ccc(C(=C(c2ccccc2)c2ccc(C=O)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
CYP2A6 P11509 1/20 0.66
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
BCHE P06276 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TRPA1 O75762 1/20 0.52
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSPD1 P10809 1/20 0.51
TNFRSF1A P19438 1/20 0.51
MAOB P27338 1/20 0.51
HSPE1 P61604 1/20 0.51
CYP1B1 Q16678 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5069485 0.87 PTGS2 (0.66) ALDH1A1CYP2A6CYP3A4MAPTMEN1
SCHEMBL5069489 0.87 PTGS2 (0.66) ALDH1A1CYP2A6CYP3A4MAPTMEN1
Anisaldehyde SCHEMBL6814373 0.85 ALDH1A1 (0.83) ALDH1A1CYP2A6CES2CES1BCHE
Anisaldehyde SCHEMBL20357563 0.85 ALDH1A1 (0.83) ALDH1A1CYP2A6BCHECYP3A4NFKB1
SCHEMBL15901558 0.85 ALDH1A1 (0.60) ALDH1A1CYP2A6CES2CES1KMT2A
SCHEMBL30741457 0.85 CES2 (0.69) ALDH1A1CES2CES1CYP3A4MAPT
SCHEMBL68050 0.85 CES2 (0.69) ALDH1A1CES2CES1CYP3A4MAPT
SCHEMBL68051 0.85 CES2 (0.69) ALDH1A1CES2CES1CYP3A4MAPT
SCHEMBL31674561 0.85 ALDH1A1 (0.60) ALDH1A1CYP2A6CES2CES1KMT2A
SCHEMBL9723456 0.85 CES2 (0.69) ALDH1A1CES2CES1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514689-A Activated alkyne-tetrastyrenesulfonic acid sodium salt molecule, preparation method and application thereof in high-throughput screening of antibiotics 南开大学 2023-08-01 CN claimed
CN-116514689-B Activated alkyne-tetrastyrenesulfonic acid sodium salt molecule, preparation method and application thereof in high-throughput screening of antibiotics 南开大学 2025-04-18 CN disclosed
CN-119185629-A Embolic microsphere and preparation method thereof 科睿驰(深圳)医疗科技发展有限公司 2024-12-27 CN disclosed
CN-116514689-A Activated alkyne-tetrastyrenesulfonic acid sodium salt molecule, preparation method and application thereof in high-throughput screening of antibiotics 南开大学 2023-08-01 CN disclosed
US-10935552-B2 Aie luminogens for visualization and treatment of cancer THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-03-02 US disclosed
CN-111909114-A AIE luminophores for visualization and treatment of cancer 香港科技大学 2020-11-10 CN disclosed
CN-107849441-B AIE luminophores for visualization and treatment of cancer 香港科技大学 2020-06-26 CN disclosed
US-20180156811-A1 AIE LUMINOGENS FOR VISUALIZATION AND TREATMENT OF CANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-06-07 US disclosed
US-20170168041-A1 Polymers And Oligomers With Aggregation-Induced Emission Characteristics For Imaging And Image-Guided Therapy NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-06-15 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 (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-10935552-B2 Aie luminogens for visualization and treatment of cancer LAMP1, LAMP2, BECN1 ALDH1A1 1573/4885CYP2A6 2391/4885CES2 2671/4885
US-20170168041-A1 Polymers And Oligomers With Aggregation-Induced Emission Characteristics For Imaging And Image-Guided Therapy MAPT, FUS, CLTB ALDH1A1 2973/4885CYP2A6 4582/4885CES2 3290/4885

“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.