SCHEMBL600540

SCHEMBL600540

O=C(O)/C=C/c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A1 P04798 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 1/20 0.59
NPY1R P25929 1/20 0.59
MAPK1 P28482 1/20 0.59
NPY2R P49146 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP1B1 Q16678 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NFKB1 P19838 1/20 0.58
CA4 P22748 1/20 0.58
PARP1 P09874 1/20 0.57
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56

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
SCHEMBL79668 1.00 HDAC8 (0.67) HDAC8HDAC6MAPTALDH1A1CYP1A1
SCHEMBL2903467 1.00 HDAC8 (0.67) HDAC8HDAC6MAPTALDH1A1CYP1A1
SCHEMBL29404405 1.00 HDAC8 (0.67) HDAC8HDAC6MAPTALDH1A1CYP1A1
SCHEMBL29470165 1.00 HDAC8 (0.67) HDAC8HDAC6MAPTALDH1A1CYP1A1
Ethylene SCHEMBL28650882 0.96 HDAC8 (0.63) HDAC8HDAC6MAPTALDH1A1CYP1A1
SCHEMBL28812132 0.90 HDAC8 (0.55) HDAC8HDAC6MAPTALDH1A1CYP1A1
SCHEMBL11138672 0.88 PARP1 (0.69) HDAC8HDAC6MAPTCA1CA2
SCHEMBL8746630 0.88 PARP1 (0.69) HDAC8HDAC6MAPTCA1CA2
SCHEMBL1233027 0.87 HDAC8 (0.57) HDAC8HDAC6MAPTALDH1A1CYP1A1
SCHEMBL3979958 0.87 HDAC8 (0.57) HDAC8HDAC6MAPTALDH1A1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP claimed
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-17 US claimed
US-6919325-B2 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-19 US claimed
EP-1429768-A1 NOVEL MEDICAMENTS FOR INHALATION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-06-23 EP claimed
US-20030130300-A1 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US claimed
WO-2003024452-A1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-27 WO claimed
JP-9067332-A None JP disclosed
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-10-09 US disclosed
CN-114591255-B Pleuromutilin derivative containing 1,2, 4-triazole acrylamide side chain and preparation method and application thereof 西安康远晟生物医药科技有限公司 2024-04-16 CN disclosed
CN-117402123-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 CN disclosed
CN-117264935-A Phenylalanine ammonia lyase mutant and application thereof 中国科学院成都生物研究所 2023-12-22 CN disclosed
US-11793064-B2 Organic metal complex, and organic light emitting device and display apparatus using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-17 US disclosed
US-11793064-B2 Organic metal complex, and organic light emitting device and display apparatus using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-17 US disclosed
US-4153617-A Anorexic chromans BEECHAM GROUP LIMITED (GB) 1979-05-08 US disclosed
US-4152159-A ACRYLIC ESTER POLYMERS EASTMAN KODAK COMPANY (US) 1979-05-01 US disclosed
US-4148909-A Chromans to treat depression and reduce appetite BEECHAM GROUP LIMITED (GB) 1979-04-10 US disclosed
US-4146539-A MOOD MODIFYERS, ANTIDEPRESSANTS BEECHAM GROUP LIMITED (GB) 1979-03-27 US disclosed
US-4133883-A Polycyclic chromenes useful as antidepressants and anorexics BEECHAM GROUP LIMITED (GB) 1979-01-09 US disclosed
US-4080335-A Anorexic chromans BEECHAM GROUP LIMITED (GB) 1978-03-21 US disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 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 (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-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 HDAC8 3668/4885HDAC6 1028/4885MAPT 1271/4885
US-11793064-B2 Organic metal complex, and organic light emitting device and display apparatus using the same L1CAM, AP2M1, MRPL9 HDAC8 4803/4885HDAC6 4673/4885MAPT 2518/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 HDAC8 4021/4885HDAC6 1492/4885MAPT 2558/4885
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF DEGS1, ACAD11, HADHA HDAC8 941/4885HDAC6 1485/4885MAPT 245/4885

“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.