SCHEMBL2807680

SCHEMBL2807680

C#Cc1cc(O)cc(C#C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HDAC8 Q9BY41 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL718437 0.94 BACE1 (0.50) BACE1CYP1A1CYP1B1HDAC8ALDH1A1
SCHEMBL211753 0.83 CYP1A1 (0.46) CYP1A1CYP1B1HDAC8CA12CA1
SCHEMBL2813175 0.82 CA12 (0.55) BACE1CYP1A1CYP1B1CA12CA1
SCHEMBL7039619 0.82 ALDH1A1 (0.55) BACE1CYP1A1CYP1B1ALDH1A1CYP3A4
SCHEMBL7034739 0.82 HCAR1 (0.40) BACE1CYP1A1CYP1B1ALDH1A1CYP3A4
SCHEMBL7038977 0.77 CYP3A4 (0.45) BACE1CYP1A1CYP1B1ALDH1A1CA1
SCHEMBL1620474 0.77 ALDH5A1 (0.38) ALDH1A1CA12CA1CA9CYP3A4
Methylamine SCHEMBL29029240 0.73 CYP1A1 (0.40) CYP1A1CYP1B1HDAC8CA12CA1
SCHEMBL77655 0.73
SCHEMBL30063924 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4279913-A2 ACOUSTIC WAVE SENSORS AND METHODS OF SENSING A GAS-PHASE ANALYT Rohm and Haas Electronic Materials LLC (US) 2023-11-22 EP disclosed
EP-3511709-B1 ACOUSTIC WAVE SENSORS AND METHODS OF SENSING A GAS-PHASE ANALYTE ROHM & HAAS ELECT MAT (US) 2023-11-01 EP disclosed
US-11746254-B2 Tunable refractive index polymers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2023-09-05 US disclosed
US-11746254-B2 Tunable refractive index polymers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2023-09-05 US disclosed
US-20220197142-A1 PHOTORESIST UNDERLAYER COMPOSITIONS AND PATTERNING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2022-06-23 US disclosed
CN-114647152-A Photoresist underlayer composition and patterning method 罗门哈斯电子材料有限责任公司 2022-06-21 CN disclosed
US-20210147707-A1 TUNABLE REFRACTIVE INDEX POLYMERS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2021-05-20 US disclosed
CN-108218695-B Polyarylene resins 罗门哈斯电子材料有限责任公司 2021-04-16 CN disclosed
US-10894848-B2 Polyarylene resins ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2021-01-19 US disclosed
CN-108148194-B Aromatic resin for underlayer 罗门哈斯电子材料有限责任公司 2020-11-10 CN disclosed
US-20170009006-A1 POLYARYLENE MATERIALS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2017-01-12 US disclosed
EP-3115392-A1 POLYARYLENE MATERIALS Rohm and Haas Electronic Materials LLC (US) 2017-01-11 EP disclosed
EP-3115392-A1 POLYARYLENE MATERIALS Rohm and Haas Electronic Materials LLC (US) 2017-01-11 EP disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
CN-101868444-A Acetylenic compound, salt thereof, condensate thereof, and composition thereof FUJIFILM CORP 2010-10-20 CN disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-04-03 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B BACE1 3162/4885CYP1A1 107/4885CYP1B1 134/4885
US-10894848-B2 Polyarylene resins PIN1, HSD17B12, PCBP1 BACE1 3323/4885CYP1A1 220/4885CYP1B1 221/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 BACE1 3680/4885CYP1A1 2489/4885CYP1B1 3236/4885
US-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom ORMDL3, SGMS1, HEATR1 BACE1 3480/4885CYP1A1 2234/4885CYP1B1 1741/4885

“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.