SCHEMBL198568

SCHEMBL198568

COCCc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2J2 P51589 1/20 0.36
PDE4D Q08499 1/20 0.36
ENPP2 Q13822 1/20 0.35
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5800316 0.87 ACACB (0.41) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL7303272 0.87 KCNH2 (0.33) TSHRKDM4ECA2
SCHEMBL7003569 0.86 IDO1 (0.38) KDM4ELMNANPSR1TDP1
SCHEMBL7002413 0.85 L3MBTL1 (0.37) KDM4ELMNANPSR1TDP1
SCHEMBL7001939 0.83 TDP1 (0.39) ENPP2KDM4ELMNATDP1
SCHEMBL6996488 0.83 TDP1 (0.39) ENPP2KDM4ELMNATDP1
SCHEMBL27757082 0.83 KCNH2 (0.31)
SCHEMBL1338713 0.82 NR3C1 (0.44) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL5128262 0.80 GAA (0.43) ADRB2KDM4E
SCHEMBL7297414 0.80 MEN1 (0.36) LMNATDP1

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 1324 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848379-B Preparation method of carbonyl compound 内蒙古民族大学 2022-10-04 CN claimed
CN-114516815-A Controllable defluorination deuteration method for polyfluoroamide 中国科学技术大学 2022-05-20 CN claimed
CN-111848379-A Preparation method of carbonyl compound 内蒙古民族大学 2020-10-30 CN claimed
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 US claimed
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US claimed
US-9024038-B2 Compunds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2015-05-05 US claimed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US claimed
WO-2013055910-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-04-18 WO claimed
US-7858802-B2 Method of preparing ionic liquids BASF SE (DE) 2010-12-28 US claimed
EP-1246828-B1 BENZOSULFONES WITH CALCIUM ANTAGONIST ACTIVITY ORTHO MCNEIL PHARM INC (US) 2005-12-07 EP claimed
EP-0334164-B1 Antihypertensive combination preparation HOFFMANN LA ROCHE (CH) 1993-10-27 EP claimed
EP-0512020-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF Nobel Chemicals AB (SE) 1992-11-11 EP claimed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO claimed
CN-86102227-A The preparation method of 1-alkylamino-2-propyl alcohol that arylolycidyl ethers and 3-replace 1987-02-04 CN claimed
EP-0193227-A1 Process for the preparation of arylglycidyl ethers and 3-substituted 1-alkylamino-2-propanols GIST-BROCADES N.V. (NL) 1986-09-03 EP claimed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 US claimed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 EP claimed
US-4287194-A Compositions with potentiated hypotensive effects RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1981-09-01 US claimed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 EP claimed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 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 (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-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP NR3C1 3954/4885ADRB2 4490/4885ADRB1 3886/4885
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP NR3C1 3954/4885ADRB2 4490/4885ADRB1 3886/4885

“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.