SCHEMBL475557

SCHEMBL475557

CC(C)(C)c1cccc(CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ACHE P22303 4/20 0.43
TAAR1 Q96RJ0 1/20 0.43
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BCHE P06276 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIF11 P52732 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 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
SCHEMBL1653903 0.89 CYP4F2 (0.46) CYP4F2CYP4A11HDAC4HDAC2HDAC8
SCHEMBL9592544 0.85 CYP4F2 (0.49) CYP4F2CYP4A11HDAC4HDAC2HDAC8
SCHEMBL23343817 0.85 TAAR1 (0.49) TDP1CYP4F2CYP4A11HDAC8TAAR1
SCHEMBL1561308 0.85 CYP4F2 (0.44) TDP1CYP4F2CYP4A11TAAR1BACE1
SCHEMBL2600025 0.83 IKBKB (0.50) TDP1HDAC4HDAC2HDAC8ACHE
SCHEMBL30484278 0.83 IKBKB (0.50) TDP1HDAC4HDAC2HDAC8ACHE
SCHEMBL156739 0.80 TAAR1 (0.67) HDAC8TAAR1KDM4EALDH1A1GAA
SCHEMBL4564437 0.80 TDP1 (0.46) TDP1HDAC4HDAC2HDAC8ACHE
SCHEMBL30525290 0.80 TAAR1 (0.67) HDAC8TAAR1KDM4EALDH1A1GAA
SCHEMBL2911870 0.80 TAAR1 (0.67) TAAR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107537565-B Amphoteric crosslinked polymer supported noble metal catalyst, preparation and alcohol oxidation method 中国科学院大连化学物理研究所 2020-06-19 CN claimed
CN-107754856-B Preparation of macrocyclic compound supported gold catalyst, gold catalyst and application 中国科学院大连化学物理研究所 2020-03-27 CN claimed
CN-107349960-B Nitrogen-containing cross-linked polymer supported nano-gold catalyst, preparation thereof and application thereof in alcohol selective oxidation reaction in aqueous medium 中国科学院大连化学物理研究所 2020-02-07 CN claimed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-05-11 US disclosed
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-05-11 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20220135584-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF REVOLUTION MEDICINES INC (US) 2022-05-05 US disclosed
CN-107537565-B Amphoteric crosslinked polymer supported noble metal catalyst, preparation and alcohol oxidation method 中国科学院大连化学物理研究所 2020-06-19 CN disclosed
CN-107754856-B Preparation of macrocyclic compound supported gold catalyst, gold catalyst and application 中国科学院大连化学物理研究所 2020-03-27 CN disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 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 (7 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF TDP1 558/4885CYP4F2 1731/4885CYP4A11 3525/4885
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 TDP1 1100/4885CYP4F2 1184/4885CYP4A11 1518/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 TDP1 924/4885CYP4F2 3612/4885CYP4A11 4409/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA TDP1 2300/4885CYP4F2 3202/4885CYP4A11 1673/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 TDP1 1100/4885CYP4F2 1184/4885CYP4A11 1518/4885
US-20220135584-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 TDP1 1675/4885CYP4F2 951/4885CYP4A11 696/4885
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 TDP1 1675/4885CYP4F2 951/4885CYP4A11 696/4885

“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.