SCHEMBL3020748

SCHEMBL3020748

CC(=O)C(CC=Cc1ccccc1)CC=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 10/20 0.59
GRIK2 Q13002 10/20 0.59
HTR2A P28223 3/20 0.55
PAM P19021 1/20 0.53
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CTSC P53634 1/20 0.48
GRIK3 Q13003 1/20 0.45
MAOB P27338 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
SCHEMBL3020746 1.00 GRIK1 (0.59) GRIK1GRIK2HTR2APAMGLA
SCHEMBL6188960 0.84 GRIK1 (0.54) GRIK1GRIK2HTR2APAMGLA
SCHEMBL27820312 0.84 HTR2A (0.58) GRIK1GRIK2HTR2APAMGLA
SCHEMBL6188957 0.84 GRIK1 (0.54) GRIK1GRIK2HTR2APAMGLA
SCHEMBL13235939 0.84 HTR2A (0.58) GRIK1GRIK2HTR2APAMGLA
SCHEMBL28839683 0.83 GRIK1 (0.45) GRIK1GRIK2HTR2APAMCTSC
SCHEMBL1716930 0.82 GRIK1 (0.65) GRIK1GRIK2HTR2APAMCTSC
SCHEMBL28581078 0.82 HTR2A (0.51) GRIK1GRIK2HTR2APAMGLA
SCHEMBL13944311 0.82 HTR2A (0.51) GRIK1GRIK2HTR2APAMGLA
SCHEMBL1716932 0.82 GRIK1 (0.65) GRIK1GRIK2HTR2APAMCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041936-B2 Antiviral agent, coating composition, resin composition and antiviral product TOAGOSEI CO., LTD. (JP) 2024-07-23 US disclosed
CN-117917276-A Composite solid acid catalyst, preparation method and application thereof 中国石油化工股份有限公司 2024-04-23 CN disclosed
US-20130273798-A1 ANTI-ALLERGEN AGENT TOAGOSEI CO., LTD. (JP) 2013-10-17 US disclosed
US-20100209530-A1 ANTI-ALLERGEN AGENT TOAGOSEI CO., LTD. (JP) 2010-08-19 US disclosed
EP-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP disclosed
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
EP-1471923-A4 AMIDO MACROLIDES KOSAN BIOSCIENCES INC (US) 2006-01-11 EP disclosed
US-6939861-B2 Amido macrolides KOSAN BIOSCIENCES, INC. (US) 2005-09-06 US disclosed
EP-1471923-A1 AMIDO MACROLIDES Kosan Biosciences, Inc. (US) 2004-11-03 EP disclosed
US-20030199458-A1 Amido macrolides KOSAN BIOSCIENCES, INC. 2003-10-23 US disclosed
WO-2003061671-A1 AMIDO MACROLIDES KOSAN BIOSCIENCES, INC. (US) 2003-07-31 WO disclosed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US disclosed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US disclosed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO disclosed
US-5360775-A Porous clay intercalation compound and its production method MITSUBISHI MATERIAL CORPORATION (JP) 1994-11-01 US disclosed
US-5013709-A Acid-treated smectite clay mineral MIZUSAWA INDUSTRIAL CHEMICALS, LTD. (JP) 1991-05-07 US disclosed
US-4709024-A REARRANGEMENT OF CYCLOHEXANONE OXIME SUMITOMO CHEMICAL COMPANY (JP) 1987-11-24 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-20030199458-A1 Amido macrolides PCSK9, ABCB4, PCSK7 GRIK1 3496/4885GRIK2 4038/4885HTR2A 2091/4885
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer COASY, KARS1, ACOT7 GRIK1 871/4885GRIK2 852/4885HTR2A 3030/4885

“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.