Sugi Predict

Sugi Predict / Compounds / SCHEMBL2489516

SCHEMBL2489516

SCHEMBL2489516

CCCCOc1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 7/20 0.66
▸ CYP3A4 P08684 5/20 0.66
▸ CYP19A1 P11511 8/20 0.59
▸ CYP2C9 P11712 8/20 0.59
▸ CYP2C19 P33261 8/20 0.59
▸ CYP1A2 P05177 5/20 0.59
▸ DRD2 P14416 1/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ RARB P10826 3/20 0.54
▸ LTA4H P09960 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53

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
SCHEMBL12562032 0.96 CYP2D6 (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL7733970 0.96 CYP2D6 (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL24727755 0.94 RARB (0.63) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL17951695 0.94 RARB (0.63) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL8239315 0.94 RARB (0.63) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL10128654 0.94 RARB (0.63) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL10128616 0.94 RARB (0.63) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL109524 0.93 DRD2 (0.63) CYP2D6CYP3A4DRD2DRD4DRD3
SCHEMBL13402142 0.92 RARB (0.61) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL2494388 0.91 CYP3A4 (0.55) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024665-B2 Polymer-stabilized liquid crystal composition and use thereof BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2024-07-02 — — US disclosed
WO-2024071860-A1 INK COMPOSITION, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2024-04-04 — — WO disclosed
WO-2024063596-A1 INK COMPOSITION, ORGANIC MATERIAL LAYER COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-03-28 — — WO disclosed
WO-2024063595-A1 INK COMPOSITION, ORGANIC MATERIAL LAYER COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-03-28 — — WO disclosed
US-20220389320-A1 POLYMER-STABILIZED LIQUID CRYSTAL COMPOSITION AND USE THEREOF BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD (CN) 2022-12-08 — — US disclosed
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 — — EP disclosed
US-20180030161-A1 COMPOSITION KIT, LAMINATE AND METHOD FOR PRODUCING SAME, AND BANDPASS FILTER FUJIFILM CORPORATION (JP) 2018-02-01 — — US disclosed
US-20180030161-A1 COMPOSITION KIT, LAMINATE AND METHOD FOR PRODUCING SAME, AND BANDPASS FILTER FUJIFILM CORPORATION (JP) 2018-02-01 — — US disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 — — EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 — — US disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 — — US disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 — — US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 — — EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 — — US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 — — US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 — — US disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 — — WO disclosed
WO-2007074893-A1 OXADIAZOLE DERIVATIVE, AND LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, AND ELECTRONIC DEVICE USING THE OXADIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-07-05 — — WO disclosed
US-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-06-28 — — US disclosed
EP-1754768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY Dainippon Ink and Chemicals, Incorporated (JP) 2007-02-21 — — 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 (4 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 CYP2D6 339/4885CYP3A4 553/4885CYP19A1 597/4885
US-20070149784-A1 Oxadiazole derivative, and light emitting element, light emitting device, and electronic device using the oxadiazole derivative OXA1L, ADRA1D, CRY1 CYP2D6 82/4885CYP3A4 176/4885CYP19A1 191/4885
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH CYP2D6 141/4885CYP3A4 115/4885CYP19A1 156/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CYP2D6 116/4885CYP3A4 106/4885CYP19A1 167/4885

“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.