SCHEMBL21155013

SCHEMBL21155013

COCCCCC(=O)NCCCN

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC6A5 Q9Y345 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 2/20 0.44
CNR1 P21554 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16489191 0.91 TSHR (0.73) TSHRHPGDMEN1KMT2ASLC6A5
SCHEMBL16190625 0.89 TSHR (0.65) TSHRHPGDMEN1KMT2ASLC6A5
SCHEMBL14262301 0.89 TSHR (0.81) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL22418053 0.88 TSHR (0.68) TSHRHPGDMEN1KMT2ASLC6A5
SCHEMBL26742630 0.86 TSHR (0.59) TSHRHPGDMEN1KMT2ASLC6A5
SCHEMBL1709113 0.85 TSHR (0.63) TSHRHPGDMEN1KMT2ASLC6A5
SCHEMBL12013653 0.85 TSHR (0.88) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL4270085 0.85 TSHR (0.88) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL8574782 0.85 TSHR (0.88) TSHRHPGDMEN1KMT2AKDM4E
SCHEMBL12013650 0.85 TSHR (0.88) TSHRHPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328310-A1 SIRNA TARGETING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 AND SIRNA CONJUGATE Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2024-02-28 EP disclosed
EP-4194553-A1 MODIFIED SIRNA WITH REDUCED OFF-TARGET ACTIVITY Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-14 EP disclosed
WO-2021254360-A1 CARBOHYDRATE MOLECULAR CLUSTER AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海拓界生物医药科技有限公司 2021-12-23 WO disclosed
US-10751419-B2 Method for synthesis of reactive conjugate clusters IONIS PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20190209694-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS IONIS PHARMACEUTICALS, INC. (US) 2019-07-11 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 (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-10751419-B2 Method for synthesis of reactive conjugate clusters ACOT7, COASY, LCAT TSHR 1805/4885HPGD 3373/4885MEN1 1068/4885
US-20190209694-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS ACOT7, COASY, LCAT TSHR 1805/4885HPGD 3373/4885MEN1 1068/4885

“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.