SCHEMBL640126

SCHEMBL640126

ON(O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.55
AOC3 Q16853 1/20 0.50
MGLL Q99685 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
ALOX5 P09917 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
Bromide SCHEMBL209320 0.97 ALDH1A1 (0.52) ALDH1A1TSHRAOC3MGLLGRIN2D
Phosphoric Acid SCHEMBL15110084 0.88 HPGD (0.48) ALDH1A1TSHRNPC1RAB9ACA12
Hydrochloric Acid SCHEMBL1876474 0.86 CYP1A2 (0.53) ALDH1A1TSHRAOC3MGLLGRIN2D
Hydrochloric Acid SCHEMBL28417225 0.83 ALDH1A1 (0.50) ALDH1A1TSHRAOC3MGLLGRIN2D
SCHEMBL39645 0.82 CYP1A2 (0.55) ALDH1A1TSHRAOC3MGLLNPC1
Hydrochloric Acid SCHEMBL3895103 0.81 AOC3 (0.56) ALDH1A1TSHRAOC3MGLLGRIN2D
Hydrochloric Acid SCHEMBL2115265 0.81 AOC3 (0.56) ALDH1A1TSHRAOC3MGLLGRIN2D
Hydrochloric Acid SCHEMBL10565954 0.81 ALDH1A1 (0.61) ALDH1A1TSHRAOC3MGLLGRIN2D
Hydrochloric Acid SCHEMBL27833055 0.81 ALDH1A1 (0.48) ALDH1A1TSHRAOC3MGLLGRIN2D
Pyrophosphoric Acid SCHEMBL15110085 0.81 TSHR (0.46) ALDH1A1TSHRNPC1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017210262-A1 PREVENTION AND TREATMENT OF VIRAL INFECTIONS BARANOWITZ STEVEN (US) 2017-12-07 WO claimed
US-20120149849-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS KNC NER ACQUISITION SUB, INC. (US) 2012-06-14 US claimed
EP-2348835-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS KNC NER Acquisition Sub, Inc. (US) 2011-08-03 EP claimed
US-7981261-B2 Integrated device and substrate for separating charged carriers and reducing photocorrosion and method for the photoelectrochemical production of electricity and photocatalytic production of hydrogen UCHICAGO ARGONNE, LLC (US) 2011-07-19 US claimed
EP-1475094-B1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use USTAV EX BOTAN AKADEMIE VED CE (CZ) 2010-07-28 EP claimed
US-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-05-06 US claimed
WO-2010037045-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-04-01 WO claimed
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2007-07-19 US claimed
US-20070105013-A1 Integrated device and substrate for separating charged carriers and reducing photocorrosion and method for the photoelectrochemical production of electricity and photocatalytic production of hydrogen UNITED STATES DEPARTMENT OF ENERGY 2007-05-10 US claimed
US-20040265907-A1 Juxtaposing affinity moieties to a semiconductor to effect changes in the charge pair separation characteristics when the affinity molecules are bound to the target; detecting target moieties in situ using nanocrystalline semiconductors; genome sequencing, forensics, assays, and drug screening RAJH TIJANA (US) 2004-12-30 US claimed
WO-2004098608-A1 PYRAZOLO [4, 3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS OF USE ÚSTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-11-18 WO claimed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP claimed
EP-0311385-B1 OPTICALLY ACTIVE HYDROXYBENZYLAMINE DERIVATIVE, OPTICALLY ACTIVE AMINE-BORON COMPOUND CONTAINING SAID DERIVATIVE, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND BY USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-03 EP claimed
EP-0091385-A1 Process for the preparation of p-hydroxybenzyl nitriles or p-hydroxybenzyl amines RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-10-12 EP claimed
US-20240238297-A1 USES AND METHODS FOR RECURRENT PRIMARY CNS NEOPLASMS CHIMERIX, INC. 2024-07-18 US disclosed
CN-117903072-A Dopa compound and preparation method and application thereof 深圳市松柏科工股份有限公司 2024-04-19 CN disclosed
CN-112980595-B Recyclable multifunctional nano surfactant and preparation method thereof 中国科学院生态环境研究中心 2022-03-18 CN disclosed
EP-0117528-A2 Method and device for electrochemical detection Rall, Gerhard, Dipl.-Ing., Arzt (DE) 1984-09-05 EP disclosed
EP-0091385-A1 Process for the preparation of p-hydroxybenzyl nitriles or p-hydroxybenzyl amines RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-10-12 EP disclosed
US-3968104-A SOLVENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 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 (3 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-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS COMT, HAAO, PNMT ALDH1A1 349/4885TSHR 4861/4885AOC3 127/4885
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO ALDH1A1 1636/4885TSHR 893/4885AOC3 99/4885
US-20240238297-A1 USES AND METHODS FOR RECURRENT PRIMARY CNS NEOPLASMS MKI67, BCL6, CBX6 ALDH1A1 704/4885TSHR 2417/4885AOC3 1877/4885

“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.