SCHEMBL5963190

SCHEMBL5963190

COc1cc(C=O)cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TTR P02766 1/20 0.49
▸ ERN1 O75460 2/20 0.47
▸ NQO2 P16083 1/20 0.47
▸ TRIM24 O15164 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALDH5A1 P51649 1/20 0.47
▸ ABAT P80404 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ NQO1 P15559 1/20 0.46
▸ FDPS P14324 1/20 0.45
▸ AOX1 Q06278 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ AKR1C2 P52895 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL29678864 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTTRERN1NQO2
SCHEMBL4612610 0.82 NQO2 (0.47) ALDH1A1NQO2HPGDNQO1MAPT
SCHEMBL10866616 0.82 RAB9A (0.38) ALDH1A1TSHRTTRERN1NQO2
SCHEMBL17310947 0.81 CYP1A2 (0.56) ALDH1A1TSHRTTRERN1NQO2
SCHEMBL11810667 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTTRERN1NQO2
SCHEMBL31362057 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTTRERN1NQO2
SCHEMBL5686498 0.79 TUBB1 (0.67) NQO2KMT2A
SCHEMBL5686446 0.79 TUBB1 (0.67) NQO2KMT2A
SCHEMBL5686445 0.79 TUBB1 (0.67) NQO2KMT2A
SCHEMBL29164128 0.79 MAPT (0.57) ALDH1A1TSHRTTRERN1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 — — US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 — — EP disclosed
WO-2021013978-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2021-01-28 — — WO disclosed
CN-106673988-B Benzyl subunit cyclohexenone derivative and preparation method and medical application thereof 南通大学 2020-04-10 — — CN disclosed
CN-107162930-B Fluorescence probe of superoxide anion and its preparation method and application, fibre-optical probe and preparation method thereof for identification 黄淮学院 2019-11-22 — — CN disclosed
CN-107162930-A Fluorescence probe for recognizing superoxide anion and its preparation method and application, fibre-optical probe and preparation method thereof 黄淮学院 2017-09-15 — — CN disclosed
CN-106673988-A Benzyl cyclohexenone derivative and preparation method and medical application thereof 南通大学 2017-05-17 — — CN disclosed
US-7071225-B2 Arylaminopropane analogues and their use for the treatment of glaucoma ALCON, INC. (CH) 2006-07-04 — — US disclosed
US-20040110791-A1 Novel arylaminopropane analogues and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-10 — — US disclosed
EP-1392269-A1 NOVEL ARYLAMINOPROPANE ANALOGUES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2004-03-03 — — EP disclosed
US-6683205-B2 FROM ARYLCARBOXYALDEHYDES OR 2-ARYL-3-HYDROXYPROPENOIC ACIDS WISYS TECHNOLOGY FOUNDATION, INC. 2004-01-27 — — US disclosed
WO-2002098400-A1 NOVEL ARYLAMINOPROPANE ANALOGUES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2002-12-12 — — WO disclosed
US-20020120153-A1 Synthesis of 2-aryl propenoic acid esters for the production of non-steroidal anti-inflammatory drugs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-08-29 — — 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG ALDH1A1 1397/4885TSHR 1018/4885TTR 234/4885
US-20040110791-A1 Novel arylaminopropane analogues and their use for the treatment of glaucoma PDE3A, PDE2A, PDE3B ALDH1A1 750/4885TSHR 2266/4885TTR 3491/4885
US-20020120153-A1 Synthesis of 2-aryl propenoic acid esters for the production of non-steroidal anti-inflammatory drugs ALOX15, ALOX15B, ALOX5 ALDH1A1 253/4885TSHR 1569/4885TTR 1370/4885

“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.

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