SCHEMBL22426573

SCHEMBL22426573

CC(C)(C)c1ccccc1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ TSHR P16473 4/20 0.43
▸ PIK3R1 P27986 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ POLB P06746 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PKM P14618 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ RECQL P46063 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PTPN7 P35236 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL23057948 0.82 LMNA (0.39) ALDH1A1TDP1TSHRPIK3R1PIK3CA
SCHEMBL16401835 0.80 PIK3R1 (0.56) ALDH1A1TSHRPIK3R1PIK3CAPOLB
SCHEMBL26259920 0.77 ALDH1A1 (0.41) ALDH1A1TDP1TSHRPIK3R1PIK3CA
SCHEMBL26259526 0.75 CFTR (0.36) ALDH1A1TDP1TSHRPOLBKDM4E
SCHEMBL1194484 0.75 ALDH1A1 (0.55) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL26259656 0.74 MET (0.34) ALDH1A1TDP1POLBKDM4EMAPT
SCHEMBL16411262 0.73 CFTR (0.37) ALDH1A1TDP1TSHRPOLBKDM4E
SCHEMBL545684 0.73 ALDH1A1 (0.52) ALDH1A1TDP1TSHRKDM4EMAPT
Phosphine SCHEMBL2238711 0.73 ALDH1A1 (0.52) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL13091138 0.72 NPC1 (0.43) ALDH1A1TDP1TSHRPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 — — US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 — — US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 — — US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 — — US disclosed
US-20210128578-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-05-06 — — US disclosed
US-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 — — US disclosed
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 — — US disclosed
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-11 — — US disclosed
US-10927096-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-02-23 — — US disclosed
US-10842798-B1 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2020-11-24 — — US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 — — US disclosed
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 — — US disclosed
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 — — 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 (13 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-20210130380-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 ALDH1A1 3411/4885TDP1 3571/4885TSHR 4454/4885
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885TDP1 4216/4885TSHR 4055/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885TDP1 4216/4885TSHR 4055/4885
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 ALDH1A1 3411/4885TDP1 3571/4885TSHR 4454/4885
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885TDP1 4092/4885TSHR 3755/4885
US-10927096-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885TDP1 4092/4885TSHR 3755/4885
US-10842798-B1 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885TDP1 4216/4885TSHR 4055/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885TDP1 4216/4885TSHR 4055/4885
US-20210128578-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885TDP1 4216/4885TSHR 4055/4885
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885TDP1 4092/4885TSHR 3755/4885
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 ALDH1A1 2736/4885TDP1 4216/4885TSHR 4055/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 ALDH1A1 3411/4885TDP1 3571/4885TSHR 4454/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 ALDH1A1 1138/4885TDP1 4092/4885TSHR 3755/4885

“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.

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