SCHEMBL913229

SCHEMBL913229

OCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.54
SMN1; SMN2 Q16637 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNH2 Q12809 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 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
SCHEMBL28514674 0.87 ALDH1A1 (0.56) KIF11
SCHEMBL6551716 0.85 KIF11 (0.61) KIF11KCNH2CYP2C9CYP2C19CYP3A4
Ammonia Solution, Strong SCHEMBL2922340 0.83 KIF11 (0.59) KIF11KCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL7453762 0.83 KIF11 (0.59) KIF11KCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL1149158 0.83 KIF11 (0.64) KIF11SMN1; SMN2CYP11B1CYP11B2KCNH2
SCHEMBL5058831 0.82 KIF11 (0.66) KIF11SMN1; SMN2KCNH2
SCHEMBL28515838 0.82 KIF11 (0.66) KIF11SMN1; SMN2KCNH2
SCHEMBL28596187 0.82 PTPN1 (0.42) KIF11KCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL301346 0.82 SMN1; SMN2 (0.55) KIF11SMN1; SMN2KCNH2CYP2C9CYP2C19
SCHEMBL9172236 0.81 KIF11 (0.57) KIF11KCNH2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082153-A Acrylic ester derivative 13 Process for the preparation of C 长沙贝塔医药科技有限公司 2023-05-09 CN claimed
CN-116082153-A Acrylic ester derivative 13 Process for the preparation of C 长沙贝塔医药科技有限公司 2023-05-09 CN disclosed
US-8759555-B2 Stereoselective synthesis of vitamin D analogues LEO PHARMA A/S (DK) 2014-06-24 US disclosed
US-8362287-B2 Stereoselective synthesis of vitamin D analogues LEO PHARMA A/S (DK) 2013-01-29 US disclosed
US-20120271058-A1 STEREOSELECTIVE SYNTHESIS OF VITAMIN D ANALOGUES SABROE THOMAS PETER (DK) 2012-10-25 US disclosed
US-8017620-B2 Dutpase inhibitors MEDIVIR AB (SE) 2011-09-13 US disclosed
US-8017620-B2 Dutpase inhibitors MEDIVIR AB (SE) 2011-09-13 US disclosed
US-8017620-B2 Dutpase inhibitors MEDIVIR AB (SE) 2011-09-13 US disclosed
US-20110021459-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2011-01-27 US disclosed
US-20110021459-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2011-01-27 US disclosed
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
CN-1251037-A Triarylmethane compounds for sickle cell disease HARVARD COLLEGE (US) 2000-04-19 CN disclosed
US-6028103-A Triaryl methane compounds and analogues thereof useful for the treatment or prevention of sickle cell disease or diseases characterized by abnormal cell proliferation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2000-02-22 US disclosed
EP-0918514-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-06-02 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
US-5874436-A EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS DEMERS JAMES P (US) 1999-02-23 US disclosed
WO-1997048676-A1 TRIPHENYLALKYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
WO-1997034589-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-25 WO disclosed
US-5643950-A INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-07-01 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP 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-20120271058-A1 STEREOSELECTIVE SYNTHESIS OF VITAMIN D ANALOGUES CYP24A1, CYP2R1, VDR KIF11 3614/4885SMN1; SMN2 4848/4885CYP11B1 77/4885
US-20110021459-A1 DUTPASE INHIBITORS DUT, DHODH, NAT10 KIF11 2686/4885SMN1; SMN2 2521/4885CYP11B1 1061/4885

“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.