SCHEMBL10258118

SCHEMBL10258118

CC(C)CCCC(C)CCOC(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
BLM P54132 1/20 0.43
PTPN1 P18031 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
FDPS P14324 1/20 0.32
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL26741121 0.85 LMNA (0.38) LMNAALDH1A1
SCHEMBL21518282 0.84 LMNA (0.32) LMNAALOX15ALDH1A1
SCHEMBL16335543 0.80 LMNA (0.65) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL6535475 0.80 LMNA (0.65) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL16377876 0.80 LMNA (0.65) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL128395 0.79 LMNA (0.41) LMNABLMALDH1A1
SCHEMBL11848061 0.79 LMNA (0.33) LMNA
SCHEMBL46516 0.79
SCHEMBL20928 0.79 LMNA (0.93) LMNABLMPTPN1MEN1CYP3A4
SCHEMBL538230 0.79 LMNA (0.93) LMNABLMPTPN1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9868711-B2 Phenazine-3-one and phenothiazine-3-one derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2018-01-16 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-9670170-B2 Resorufin derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-06-06 US disclosed
US-20160228491-A1 THERAPEUTIC COMPOSITIONS INCLUDING PHENAZINE-3-ONE AND PHENOTHIAZINE-3-ONE DERIVATIVES AND USES THEREOF STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2016-08-11 US disclosed
US-9403791-B1 Coumarin derivatives for cancer therapy WELLESLEY COLLEGE (US) 2016-08-02 US disclosed
US-9296712-B2 Resorufin derivatives for treatment of oxidative stress disorders EDISON PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-20160039775-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-02-11 US disclosed
US-20160039776-A1 PHENAZINE-3-ONE AND PHENOTHIAZINE-3-ONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-02-11 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-20140275045-A1 PHENAZINE-3-ONE AND PHENOTHIAZINE-3-ONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 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 (9 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885BLM 4240/4885PTPN1 1905/4885
US-20140275045-A1 PHENAZINE-3-ONE AND PHENOTHIAZINE-3-ONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PCK2, MGST3, TXNRD2 LMNA 1627/4885BLM 3752/4885PTPN1 3790/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885BLM 4240/4885PTPN1 1905/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 LMNA 1757/4885BLM 4240/4885PTPN1 1905/4885
US-20160039775-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 LMNA 2029/4885BLM 2357/4885PTPN1 4791/4885
US-20160039776-A1 PHENAZINE-3-ONE AND PHENOTHIAZINE-3-ONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PCK2, MGST3, TXNRD2 LMNA 1627/4885BLM 3752/4885PTPN1 3790/4885
US-20160228491-A1 THERAPEUTIC COMPOSITIONS INCLUDING PHENAZINE-3-ONE AND PHENOTHIAZINE-3-ONE DERIVATIVES AND USES THEREOF TYR, DNPEP, ARG2 LMNA 1187/4885BLM 1453/4885PTPN1 1191/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885BLM 4240/4885PTPN1 1905/4885
US-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 LMNA 2029/4885BLM 2357/4885PTPN1 4791/4885

“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.