SCHEMBL6572932

SCHEMBL6572932

O=C(C#CC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 3/20 0.53
HCAR2 Q8TDS4 1/20 0.53
P2RX4 Q99571 2/20 0.50
P2RX1 P51575 1/20 0.49
P2RX3 P56373 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL7880310 0.94 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6579182 0.91 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL17798624 0.91 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28080744 0.90 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9679306 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5943351 0.85 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20109817 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL735278 0.85 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6642914 0.84 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3222768 0.84 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104003995-A Pyrone-[3, 4-b] indole derivative and synthetic method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 CN claimed
US-11897881-B1 Substituted pyrido[3,4-b]indole-3-carboxylic acids as CK2 inhibitors King Faisal University (SA) 2024-02-13 US disclosed
CN-104003995-B Pyranone also [3,4-b] indole derivatives and synthetic method thereof 上海交通大学 2016-10-26 CN disclosed
CN-104003995-A Pyrone-[3, 4-b] indole derivative and synthetic method thereof UNIV SHANGHAI JIAOTONG 2014-08-27 CN disclosed
CN-102627563-B Phthalic acid compound, its preparation method and application UNIV SICHUAN 2014-07-23 CN disclosed
CN-102627563-A Phthalic acid compound, its preparation method and application UNIV SICHUAN 2012-08-08 CN disclosed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
US-6187285-B1 IN PARTICULAR MAGNETIC RESONANCE IMAGING (MRI) FOR MAGNETIC CATIONS. GUERBET (FR) 2001-02-13 US disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed
US-5563273-A COLOR CHANGE AGENT INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1996-10-08 US disclosed
EP-0431547-B1 Charge transfer salts and uses thereof IBM (US) 1994-09-21 EP disclosed
US-5179467-A Color for visual displays in electrochemical cells INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-01-12 US disclosed
WO-1991008507-A1 CHARGE TRANSFER SALTS AND USES THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1991-06-13 WO disclosed
EP-0431547-A2 Charge transfer salts and uses thereof International Business Machines Corporation (US) 1991-06-12 EP disclosed
US-4866095-A 1,8-dihydroxy-9-anthrones for treating warts or psoriasis GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIEQUES C.I.R.D. (FR) 1989-09-12 US disclosed
US-4558069-A TREATMENT OF SKIN DISORDERS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1985-12-10 US disclosed
US-4465688-A FOR TREATMENT OF SKIN DISORDERS GROUPEMENT D'INTERET ECONOMIQUE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1984-08-14 US disclosed
US-4464301-A FOR TREATMENT OF PSORIASIS GROUPEMENT D'INTERET ECONOMIQUE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1984-08-07 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 (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-11897881-B1 Substituted pyrido[3,4-b]indole-3-carboxylic acids as CK2 inhibitors CSNK2A3, CDK2, SKP2 ALDH1A1 2699/4885TDP1 2845/4885MAPK1 340/4885

“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.