SCHEMBL4814070

SCHEMBL4814070

CC(C)(C)[CH]c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 2/20 0.43
RXRA P19793 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11785603 0.79 CHAT (0.50) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL11785609 0.79 CHAT (0.50) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL18243277 0.78 CYP2A6 (0.43) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL3247717 0.78 RXRA (0.43) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL2596074 0.75 RXRA (0.41) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL18242247 0.75 RXRA (0.41) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL18242061 0.75 RXRA (0.41) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL9005 0.75 MEN1 (0.57) MTNR1AMTNR1BALDH1A1CYP2A6RXRA
SCHEMBL46 0.75 CHAT (0.48) CHATMTNR1AMTNR1BALDH1A1CYP2A6
SCHEMBL35849993 0.75 MEN1 (0.57) MTNR1AMTNR1BALDH1A1CYP2A6RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110437046-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2022-08-16 CN disclosed
CN-107406584-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2020-06-09 CN disclosed
CN-110437046-A Polymer containing fluorine atom and its utilize technical field NISSAN CHEMICAL IND LTD 2019-11-12 CN disclosed
CN-107406584-A Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2017-11-28 CN disclosed
US-7358396-B2 Preparation of optically active amines BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 US disclosed
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes Source Global, PBC 2007-07-05 US disclosed
US-7193092-B2 Chiral diphosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2007-03-20 US disclosed
US-7078226-B1 Method for producing optically active amines BASF AKTIENGESELLSCHAFT (DE) 2006-07-18 US disclosed
US-20060122429-A1 Preparation of optically active amines DITRICH KLAUS 2006-06-08 US disclosed
EP-1400527-B1 Chiral diphosphorus compounds and transition metal complexes thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-03-22 EP disclosed
EP-1232279-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2002-08-21 EP disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
US-6242583-B1 COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
WO-2001038292-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2001-05-31 WO disclosed
US-5990320-A Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
EP-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
US-4101464-A Process for preparing foamed solids using two or more azo compounds PENNWALT CORPORATION (US) 1978-07-18 US disclosed
US-4029615-A AZO COMPOUNDS PENNWALT CORPORATION (US) 1977-06-14 US disclosed
US-3993609-A ACID SENSITIVE AZO PROMOTERS PENNWALT CORPORATION (US) 1976-11-23 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-20060122429-A1 Preparation of optically active amines MAOA, MAOB, NAAA CHAT 47/4885MTNR1A 2340/4885MTNR1B 2503/4885
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes CDIPT, DCPS, PIN1 CHAT 4077/4885MTNR1A 3987/4885MTNR1B 4103/4885

“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.