SCHEMBL30717

SCHEMBL30717

Cn1cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.40
LIPG Q9Y5X9 13/20 0.40
P2RX7 Q99572 1/20 0.32
TSHR P16473 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MAPK1 P28482 1/20 0.31
JAK2 O60674 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL25947685 0.80 LPL (0.40) LPLLIPGP2RX7CA1CA2
SCHEMBL28845961 0.74 LPL (0.43) LPLLIPG
SCHEMBL18092423 0.74 JAK2 (0.41) LPLLIPGTSHRTRIM24TRIM33
SCHEMBL19885232 0.74 LPL (0.41) LPLLIPGP2RX7CA1CA2
SCHEMBL19887482 0.73 LPL (0.33) LPLLIPG
SCHEMBL5811706 0.73 CA1 (0.36) LPLLIPGCA1CA2CA9
SCHEMBL18092375 0.72 LIPG (0.37) LPLLIPGP2RX7CA1CA2
SCHEMBL18173799 0.71 HDAC8 (0.41) LPLLIPG
SCHEMBL28880978 0.71 LPL (0.35) LPLLIPGP2RX7CA1CA2
SCHEMBL332693 0.68 LPL (0.36) LPLLIPGP2RX7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735757-A Microenvironment sensitive fluorescent organic small molecule compound and synthetic method and application thereof 陕西师范大学 2021-12-03 CN claimed
WO-2026086794-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF THE CHINESE UNIVERSITY OF HONG KONG (CN) 2026-04-30 WO disclosed
US-12492181-B2 Gem-disubstituted piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2025-12-09 US disclosed
CN-116194108-B Novel dioxoisoquinolinone derivatives and use thereof 韩美药品株式会社 2025-05-30 CN disclosed
CN-119707852-A Nile red derivative fluorescent imaging probe molecule with high lipid drop specificity and light stability and application thereof in cell lipid drop fluorescent imaging 吉林大学 2025-03-28 CN disclosed
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
CN-119161306-A Bicycloacetamide structural compound, preparation method and pharmaceutical application thereof 河南大学 2024-12-20 CN disclosed
WO-2024163405-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2024-08-08 WO disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO 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 (5 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 LPL 3942/4885LIPG 3515/4885P2RX7 2571/4885
US-12492181-B2 Gem-disubstituted piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC1R, MC3R, MC2R LPL 2567/4885LIPG 2552/4885P2RX7 444/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 LPL 3391/4885LIPG 3008/4885P2RX7 4337/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B LPL 1131/4885LIPG 2231/4885P2RX7 3020/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 LPL 4451/4885LIPG 4761/4885P2RX7 1/4885

“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.