SCHEMBL2818929

SCHEMBL2818929

O=C(Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALOX15 P16050 1/20 0.39
TRPA1 O75762 1/20 0.37
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5079803 1.00 CYP3A4 (0.67) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL27702807 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL29282556 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL11409155 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL28399012 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL28861274 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL11614678 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL29129734 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL28733182 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2
SCHEMBL10875037 0.97 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010744-A Farnesyl acetone and preparation method thereof 武汉臻智生物科技有限公司 2020-12-01 CN claimed
CN-112010744-A Farnesyl acetone and preparation method thereof 武汉臻智生物科技有限公司 2020-12-01 CN disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 WO disclosed
US-4193942-A METAL COMPLEX CONTAINING COBALT, RHODIUM, RUTHENIUM, OR IRIDIUM AND A PHOSPHITE OR PHOSPHINE IN A LIGAND-FORMING SOLVENT STAMICARBON, B.V. (NL) 1980-03-18 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 CYP3A4 1918/4885TDP1 4798/4885ESR1 2012/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 CYP3A4 1069/4885TDP1 4797/4885ESR1 2509/4885

“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.