SCHEMBL2393355

SCHEMBL2393355

c1ccc(C(c2ccccc2)(c2ccccc2)n2cccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
KCNN4 O15554 5/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 3/20 0.39
KCNA3 P22001 2/20 0.39
NR1I2 O75469 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TBXA2R P21731 2/20 0.39
CCKBR P32239 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7993526 0.80 CYP11B1 (0.48) CYP11B1CYP11B2KCNN4TSHRALDH1A1
SCHEMBL5479925 0.79 CYP19A1 (0.66) CYP11B1CYP11B2KCNN4TSHRALOX15
SCHEMBL30577371 0.74 CYP11B1 (0.57) CYP11B1CYP11B2KCNN4TSHRALDH1A1
SCHEMBL14590840 0.72 CYP11B1 (0.46) CYP11B1CYP11B2KCNN4TSHRALDH1A1
SCHEMBL332630 0.72 CYP11B1 (1.00) CYP11B1CYP11B2KCNN4TSHRALOX15
SCHEMBL31298430 0.69 CYP11B1 (0.67) CYP11B1CYP11B2KCNN4TSHRALOX15
SCHEMBL9650536 0.67 CYP2B6 (0.46) CYP11B1CYP11B2KCNN4TSHRALDH1A1
SCHEMBL2392136 0.63 CYP2B6 (0.59) CYP11B1CYP11B2KCNN4TSHRALDH1A1
SCHEMBL1108511 0.63 TSHR (0.65) KCNN4TSHRALDH1A1ALOX15MAPK1
SCHEMBL30068584 0.62 KDM4E (0.44) CYP11B1CYP11B2KCNN4TSHRALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEMICAL INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
WO-2017070536-A1 METHODS AND AGENTS FOR TREATING DISEASES ANGION BIOMEDICA CORP. (US) 2017-04-27 WO disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 US disclosed
EP-0093925-A1 Azolyl butynes, process for their preparation and their use as fungicides and plant growth regulators BAYER AG (DE) 1983-11-16 EP disclosed
US-4243670-A MICROBORICIDES; FUNGICIDES; SPORICIDES; HYGIENE BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4073901-A Metal complexes of N-trityl-azoles for combatting fungi BAYER AKTIENGESELLSCHAFT (DT) 1978-02-14 US disclosed
US-4073901-A Metal complexes of N-trityl-azoles for combatting fungi BAYER AKTIENGESELLSCHAFT (DT) 1978-02-14 US disclosed
US-4073901-A Metal complexes of N-trityl-azoles for combatting fungi BAYER AKTIENGESELLSCHAFT (DT) 1978-02-14 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-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls PGF, VEGFA, MKI67 CYP11B1 3035/4885CYP11B2 3681/4885KCNN4 4235/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 CYP11B1 291/4885CYP11B2 653/4885KCNN4 10/4885
US-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR MC1R, TYR, NAMPT CYP11B1 845/4885CYP11B2 1675/4885KCNN4 4094/4885

“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.