SCHEMBL21625714

SCHEMBL21625714

COc1cc(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)s2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.50
▸ HSD17B2 P37059 2/20 0.50
▸ ACHE P22303 2/20 0.47
▸ ACKR3 P25106 8/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.42
▸ DAPK1 P53355 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL30977647 1.00 HSD17B1 (0.50) HSD17B1HSD17B2ACHEACKR3HDAC6
Hydrochloric Acid SCHEMBL30977643 0.99 HSD17B1 (0.49) HSD17B1HSD17B2ACHEACKR3HDAC6
Hydrochloric Acid SCHEMBL21625709 0.99 HSD17B1 (0.49) HSD17B1HSD17B2ACHEACKR3HDAC6
SCHEMBL21625732 0.88 HSD17B1 (0.53) HSD17B1HSD17B2ACKR3HDAC6DAPK1
SCHEMBL30977651 0.88 HSD17B1 (0.53) HSD17B1HSD17B2ACKR3HDAC6DAPK1
Hydrochloric Acid SCHEMBL21625719 0.87 HSD17B1 (0.52) HSD17B1HSD17B2ACKR3HDAC6DAPK1
Hydrochloric Acid SCHEMBL30977644 0.87 HSD17B1 (0.52) HSD17B1HSD17B2ACKR3HDAC6DAPK1
Hydrochloric Acid SCHEMBL21625728 0.87 HSD17B1 (0.44) HSD17B1HSD17B2ACHEHDAC6
Hydrochloric Acid SCHEMBL30977642 0.87 HSD17B1 (0.44) HSD17B1HSD17B2ACHEHDAC6
SCHEMBL21625723 0.86 HSD17B1 (0.51) HSD17B1HSD17B2ACHEACKR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814340-B1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO LTD (KR) 2024-12-18 — — EP disclosed
US-12110281-B2 Catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same HEXAPHARMATEC CO., LTD. (KR) 2024-10-08 — — US disclosed
CN-112437773-B Catechol derivatives or salts thereof, process for preparing the same and pharmaceutical compositions containing the same 六合医药科技有限公司 2024-06-11 — — CN disclosed
US-20210340119-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO., LTD. (KR) 2021-11-04 — — US disclosed
EP-3814340-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Hexapharmatec Co., Ltd. (KR) 2021-05-05 — — EP disclosed
CN-112437773-A Novel catechol derivative or salt thereof, method for producing the same, and pharmaceutical composition containing the same 六合医药科技有限公司 2021-03-02 — — CN disclosed
WO-2020017878-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HEXAPHARMATEC CO., LTD. (KR) 2020-01-23 — — 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 (2 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-12110281-B2 Catechol derivatives or salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same COMT, TYR, REN HSD17B1 1028/4885HSD17B2 744/4885ACHE 751/4885
US-20210340119-A1 NOVEL CATECHOL DERIVATIVES OR SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME COMT, TYR, REN HSD17B1 1260/4885HSD17B2 911/4885ACHE 691/4885

“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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