SCHEMBL21614005

SCHEMBL21614005

COc1cc(C(=O)O)ccc1OCCCCCOc1ccc(C(=O)O)cc1OC

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
CA12 O43570 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CA7 P43166 1/20 0.73
TPMT P51580 1/20 0.73
CA9 Q16790 1/20 0.73
CA14 Q9ULX7 1/20 0.73
PRSS1 P07477 3/20 0.67
PLA2G4B P0C869 1/20 0.65
MRGPRX4 Q96LA9 1/20 0.62
MAPT P10636 1/20 0.60
TTR P02766 1/20 0.59
THRA P10827 1/20 0.59
THRB P10828 1/20 0.59

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
SCHEMBL8122418 0.98 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL5492174 0.97 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL8085474 0.95 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL18682279 0.94 PLA2G4B (0.74) TSHRCA12CA1CA2CA4
SCHEMBL9307551 0.94 PLA2G4B (0.74) TSHRCA12CA1CA2CA4
SCHEMBL7751323 0.94 TSHR (0.68) TSHRCA12CA1CA2CA4
SCHEMBL16077692 0.94 PLA2G4B (0.74) TSHRCA12CA1CA2CA4
SCHEMBL19970622 0.94 TSHR (0.68) TSHRCA12CA1CA2CA4
SCHEMBL2312195 0.94 PLA2G4B (0.74) TSHRCA12CA1CA2CA4
SCHEMBL7273205 0.94 PLA2G4B (0.74) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 US disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN disclosed
WO-2020006722-A1 CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-01-09 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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B TSHR 2307/4885CA12 2217/4885CA1 1942/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A TSHR 3815/4885CA12 372/4885CA1 325/4885

“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.