SCHEMBL8063283

SCHEMBL8063283

C=CCCc1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
IDO1 P14902 2/20 0.38
APP P05067 3/20 0.37
SPHK2 Q9NRA0 6/20 0.35
SPHK1 Q9NYA1 6/20 0.35
SIGMAR1 Q99720 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL18931456 0.94 CYP3A4 (0.34) CYP3A4IDO1APPSPHK2SPHK1
SCHEMBL9004469 0.87 GFER (0.36) CYP3A4
SCHEMBL8073139 0.86 SPHK2 (0.40) CYP3A4IDO1APPSPHK2SPHK1
SCHEMBL6285109 0.85 GFER (0.41) CYP3A4
SCHEMBL8072128 0.85 SPHK2 (0.45) SPHK2SPHK1SIGMAR1
SCHEMBL8072635 0.83 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL8062890 0.83 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL8073049 0.83 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL8070908 0.83 SPHK2 (0.48) SPHK2SPHK1
SCHEMBL8854472 0.80 HRH3 (0.41) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
EP-3442045-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR BATTERY MODULE AND SENSOR PROVIDED WITH SAME Sumitomo Chemical Company, Limited (JP) 2019-02-13 EP disclosed
US-9777116-B2 Porous/nanoporous PHT INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-10-03 US disclosed
US-20170173170-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-06-22 US disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 CYP3A4 3758/4885IDO1 1457/4885APP 2634/4885
US-20170173170-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY PAICS, PHPT1, MAPT CYP3A4 3225/4885IDO1 2176/4885APP 392/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 CYP3A4 4098/4885IDO1 1659/4885APP 2915/4885

“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.