SCHEMBL21248064

SCHEMBL21248064

O=C(O)c1ncccc1OCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
PPIA P62937 3/20 0.44
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2426791 0.86 LTA4H (0.58) ALDH1A1PTK2BLTA4HMAPK14PPIA
SCHEMBL30848623 0.86 LTA4H (0.58) ALDH1A1PTK2BLTA4HMAPK14PPIA
Hydrochloric Acid SCHEMBL10705444 0.85 LTA4H (0.57) ALDH1A1PTK2BLTA4HMAPK14PPIA
SCHEMBL8883428 0.84 CYP11B1 (0.55) ALDH1A1KMT2AKDM4EMAPTCYP3A4
SCHEMBL8883103 0.82 ASPH (0.49) ALDH1A1KMT2AKDM4EMAPTCYP3A4
SCHEMBL8882396 0.81 ASPH (0.50) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL21265705 0.81 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BKDM4ETSHR
SCHEMBL30876131 0.81 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BKDM4ETSHR
SCHEMBL796628 0.79 KDM4E (0.47) ALDH1A1KMT2APTK2BKDM4EMAPT
SCHEMBL1138239 0.79 KDM4E (0.50) ALDH1A1KMT2APTK2BKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 EP disclosed
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 CN disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
EP-3749669-B1 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2023-03-08 EP disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 US disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 US disclosed
US-11407764-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2022-08-09 US disclosed
US-11407764-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2022-08-09 US disclosed
US-20210002297-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-01-07 US disclosed
US-20210002297-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-01-07 US disclosed
EP-3749669-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2020-12-16 EP disclosed
US-10815250-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2020-10-27 US disclosed
US-10815250-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2020-10-27 US disclosed
CN-111683950-A AhR modulators 伊迪亚生物科学有限公司 2020-09-18 CN disclosed
US-20190270754-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2019-09-05 US disclosed
US-20190270754-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2019-09-05 US disclosed
WO-2019156987-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 WO disclosed
WO-2019156987-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 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 (6 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-11407764-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885
US-20230039955-A1 AhR MODULATORS AHR, ARNT, RORB ALDH1A1 584/4885KMT2A 314/4885PTK2B 2260/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885
US-10815250-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885
US-20210002297-A1 AhR MODULATORS AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885
US-20190270754-A1 AhR MODULATORS AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885

“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.