SCHEMBL614689

SCHEMBL614689

C=CCCOc1ccccc1C(=O)CBr

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
LIG1 P18858 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.44
PTK2B Q14289 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPN1 P18031 1/20 0.41
HPGDS O60760 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL3315009 0.83 KDM4E (0.74) KDM4ELIG1ALDH1A1KMT2APTK2B
SCHEMBL30480747 0.81 KDM4E (0.72) KDM4ELIG1ALDH1A1KMT2APTK2B
SCHEMBL615999 0.81 KDM4E (0.72) KDM4ELIG1ALDH1A1KMT2APTK2B
SCHEMBL5052356 0.80 LMNA (0.53) KDM4EALDH1A1KMT2APTK2BLMNA
SCHEMBL23748179 0.79 KDM4E (0.68) KDM4ELIG1ALDH1A1KMT2APTK2B
SCHEMBL28576934 0.79 KDM4E (0.68) KDM4ELIG1ALDH1A1KMT2ALMNA
SCHEMBL28640997 0.78 LMNA (0.57) KDM4EALDH1A1KMT2APTK2BLMNA
SCHEMBL16787529 0.78 ALDH1A1 (0.53) KDM4EALDH1A1KMT2APTK2BLMNA
SCHEMBL5055118 0.78 LMNA (0.59) KDM4EALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL15528629 0.77 KDM4E (0.65) KDM4ELIG1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885LIG1 3621/4885ALDH1A1 4598/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885LIG1 3621/4885ALDH1A1 4598/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 KDM4E 796/4885LIG1 3621/4885ALDH1A1 4598/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 KDM4E 796/4885LIG1 3621/4885ALDH1A1 4598/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885LIG1 3621/4885ALDH1A1 4598/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885LIG1 3621/4885ALDH1A1 4598/4885

“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.