SCHEMBL1135239

SCHEMBL1135239

Oc1cccc(C2OCCO2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.53
DRD2 P14416 4/20 0.53
CA12 O43570 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CYP19A1 P11511 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 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
SCHEMBL31125349 1.00 DRD3 (0.53) DRD3DRD2CA12ALDH1A1CA2
SCHEMBL7388541 0.92 DRD3 (0.50) DRD3DRD2CA12ALDH1A1CA2
SCHEMBL17688056 0.89 HSD17B1 (0.50) DRD3DRD2CYP3A4
SCHEMBL7255668 0.80 NPC1 (0.45) DRD3DRD2
SCHEMBL10062055 0.77 DRD3 (0.59) DRD3DRD2CA12ALDH1A1CA2
SCHEMBL15279432 0.77 HTR2C (0.40) DRD2ALDH1A1LMNAHTR2C
SCHEMBL921104 0.77 ALDH1A1 (0.46) DRD3DRD2CA12ALDH1A1CA2
SCHEMBL7323682 0.77 TAAR1 (0.46) HTR2AHTR2CHTR2BCYP19A1
SCHEMBL1624290 0.76 ENPP2 (0.45) ALDH1A1CA2CA5ACA14CA5B
SCHEMBL1555687 0.76 DRD3 (0.58) DRD3DRD2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240324442-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-09-26 US disclosed
WO-2024094235-A1 USE OF BENZOXABOROLE-BASED COMPOUNDS IN THERAPY OF DISEASES CAUSED BY AMOEBAS OF THE NAEGLERIA GENUS UNIVERZITA KARLOVA (CZ) 2024-05-10 WO disclosed
EP-2691402-B1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2019-05-08 EP disclosed
EP-2998307-B1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF BEIJING SL PHARMACEUTICAL CO LTD (CN) 2018-10-31 EP disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2016-04-28 US disclosed
EP-2998307-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Beijing Meibeita Drug Res Co., Ltd (CN) 2016-03-23 EP disclosed
CN-1328276-C Method for preserving cyclic condensed formol MITSUBISHI GAS CHEMICAL CO (JP) 2007-07-25 CN disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN disclosed
CN-1530364-A Method for preserving cyclic condensed formol 三菱瓦斯化学株式会社 2004-09-22 CN disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
US-5103014-A Antiinflammatory or/and antiallergic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-07 US disclosed
US-4904786-A Quinoline compounds as antiallergic and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-02-27 US disclosed
US-4288451-A Combating arthropods with ferrocene-containing synergistic compositions BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 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 (6 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-20240324442-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES KCNH2, KCNH3, KCNB2 DRD3 131/4885DRD2 368/4885CA12 2000/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 DRD3 4456/4885DRD2 4345/4885CA12 1032/4885
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 DRD3 1341/4885DRD2 1326/4885CA12 2926/4885
US-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF P2RY1, SQLE, PHOSPHO1 DRD3 1613/4885DRD2 1598/4885CA12 2379/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 DRD3 54/4885DRD2 171/4885CA12 4205/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 DRD3 25/4885DRD2 43/4885CA12 4043/4885

“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.