SCHEMBL1718237

SCHEMBL1718237

[CH2]c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
KIF11 P52732 1/20 0.38
MCL1 Q07820 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL22802540 0.97 ACHE (0.47) ACHETDP1CYP2D6CYP2C9HPGD
SCHEMBL51590 0.90
SCHEMBL27484348 0.87
SCHEMBL27257884 0.87
SCHEMBL29058177 0.87
SCHEMBL197731 0.83 ACHE (0.73) ACHETDP1CYP2D6CYP2C9HPGD
SCHEMBL18661495 0.83 ACHE (0.73) ACHETDP1CYP2D6CYP2C9HPGD
SCHEMBL3287696 0.83 ACHE (0.73) ACHETDP1CYP2D6CYP2C9HPGD
SCHEMBL27916393 0.81 ACHE (0.50) ACHETDP1ALDH1A1CA1CA2
Water SCHEMBL3680095 0.79 ACHE (0.67) ACHETDP1CYP2D6CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021186-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2005-06-29 EP claimed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 US claimed
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CV THERAPEUTICS, INC. 2002-03-14 US claimed
EP-1150982-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a) CV THERAPEUTICS, INC. (US) 2001-11-07 EP claimed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO claimed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 EP claimed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 EP claimed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 WO claimed
WO-1998005335-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) CV THERAPEUTICS, INC. (US) 1998-02-12 WO claimed
WO-2024147306-A1 AMIDE COMPOUND AND HARMFUL ARTHROPOD CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2024-07-11 WO disclosed
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-111491963-B Method for producing (meth) acrylic composition, coating material containing (meth) acrylic composition, and cured body 三菱瓦斯化学株式会社 2023-04-28 CN disclosed
CN-113710750-B (meth) acrylic composition, coating material containing same, and cured product 三菱瓦斯化学株式会社 2022-07-12 CN disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
EP-0393668-A2 Method of preparation of benzaldehyde dialkyl acetals and new benzaldehyde dialkyl acetals BASF Aktiengesellschaft (DE) 1990-10-24 EP disclosed
US-4613597-A ANTICOAGULANTS, VASODILATORS, BRONCHODILATORS GLAXO GROUP LIMITED (GB) 1986-09-23 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-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CDKN1A, CCNK, CDK1 ACHE 4883/4885TDP1 336/4885CYP2D6 3310/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB ACHE 4881/4885TDP1 330/4885CYP2D6 3198/4885

“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.