SCHEMBL190417

SCHEMBL190417

c1ccc(C2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.67
SIGMAR1 Q99720 1/20 0.67
GRIN2B Q13224 3/20 0.56
AKR1C3 P42330 1/20 0.54
AKR1C1 Q04828 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
DRD2 P14416 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 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
SCHEMBL41763 1.00
Hydrochloric Acid SCHEMBL29241797 0.97 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
Ammonia Solution, Strong SCHEMBL3932661 0.97 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
Benzene SCHEMBL23070411 0.97 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
Hydrogen Peroxide SCHEMBL2353767 0.97 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
Methylamine SCHEMBL10526333 0.91 SLC18A3 (0.58) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
Methyl Alcohol SCHEMBL2329914 0.91 SLC18A3 (0.58) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
Bicarbonate SCHEMBL7573346 0.89 AKR1C3 (0.63) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
SCHEMBL4362865 0.89 SLC18A3 (0.56) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1
SCHEMBL10411811 0.89 SLC18A3 (0.56) SLC18A3SIGMAR1GRIN2BAKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
CN-106117099-A The oxidation of hydrocarbon 埃克森美孚化学专利公司 2016-11-16 CN claimed
EP-2220039-B1 OXIDATION OF HYDROCARBONS EXXONMOBIL CHEM PATENTS INC (US) 2016-07-27 EP claimed
US-9073840-B2 Oxidation of hydrocarbons EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-07-07 US claimed
US-8921609-B2 Oxidation of hydrocarbons EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-30 US claimed
US-8658835-B2 Oxidation of hydrocarbons EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-02-25 US claimed
US-8658839-B2 Oxidation of hydrocarbons EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-02-25 US claimed
US-20130203984-A1 \"OXIDATION OF HYDROCARBONS\ EXXONMOBIL CHEMICAL PATENTS INC. 2013-08-08 US claimed
US-8487138-B2 Oxidation of hydrocarbons EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-07-16 US claimed
EP-2220039-A1 OXIDATION OF HYDROCARBONS ExxonMobil Chemical Patents Inc. (US) 2010-08-25 EP claimed
US-20100185016-A1 Process for Oxidizing Alkylaromatic Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2010-07-22 US claimed
EP-2098504-A1 Oxidation of hydrocarbons ExxonMobil Chemical Patents Inc. (US) 2009-09-09 EP claimed
EP-2098505-A1 Oxidation of hydrocarbons ExxonMobil Chemical Patents Inc. (US) 2009-09-09 EP claimed
EP-2059501-A2 PROCESS FOR OXIDIZING ALKYLAROMATIC COMPOUNDS ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2009-05-20 EP claimed
WO-2009058527-A1 OXIDATION OF HYDROCARBONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-05-07 WO claimed
US-7446232-B2 Process for oxidizing alkylaromatic compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-11-04 US claimed
WO-2008018972-A2 PROCESS FOR OXIDIZING ALKYLAROMATIC COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-14 WO claimed
US-20080033217-A1 Process for oxidizing alkylaromatic compounds EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US claimed
EP-0113017-B1 THERMAL TRANSFER PRINTING International Business Machines Corporation (US) 1988-07-13 EP claimed

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-20100185016-A1 Process for Oxidizing Alkylaromatic Compounds CBR1, AOC3, SCO2 SLC18A3 4064/4885SIGMAR1 373/4885GRIN2B 1810/4885
US-20130203984-A1 \"OXIDATION OF HYDROCARBONS\ HAO2, ACOX1, ADH1C SLC18A3 4311/4885SIGMAR1 596/4885GRIN2B 2677/4885
US-20080033217-A1 Process for oxidizing alkylaromatic compounds CBR1, CBR3, CYP2E1 SLC18A3 4468/4885SIGMAR1 482/4885GRIN2B 3784/4885

“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.