SCHEMBL7154044

SCHEMBL7154044

O=P(c1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.58
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ACP3 P15309 1/20 0.50
PTPN5 P54829 1/20 0.47
LMNA P02545 1/20 0.46
BACE1 P56817 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
PTPN1 P18031 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
MMP2 P08253 1/20 0.43
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
P2RX1 P51575 1/20 0.41

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
SCHEMBL11991724 0.91 KIF11 (0.48) KIF11ALDH1A1TSHRACP3TRPV6
SCHEMBL6204533 0.91 KIF11 (0.48) KIF11ALDH1A1TSHRACP3TRPV6
SCHEMBL11991723 0.88 KIF11 (0.43) KIF11ALDH1A1TSHRNPC1RAB9A
SCHEMBL15698268 0.87 PTPN5 (0.47) KIF11ALDH1A1TSHRNPC1RAB9A
SCHEMBL11991747 0.86 KIF11 (0.56) KIF11PTPN5
SCHEMBL7616716 0.83 P2RX1 (0.46) KIF11ALDH1A1TSHRNPC1RAB9A
SCHEMBL15700305 0.83 PTPN5 (0.44) KIF11ALDH1A1TSHRNPC1RAB9A
SCHEMBL8164654 0.82 PGK1 (0.51) KIF11ALDH1A1TSHRRAB9AACP3
SCHEMBL11991725 0.81 KIF11 (0.42) KIF11ALDH1A1TSHRNPC1RAB9A
SCHEMBL11991735 0.81 KIF11 (0.42) KIF11ALDH1A1TSHRNPC1RAB9A

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
CN-117362339-A Preparation and application of organic phosphine oxide compound 浙江扬帆新材料股份有限公司 2024-01-09 CN disclosed
CN-115055207-B Method for preparing aryl phosphine by reducing aryl phosphine oxide 清华大学 2023-07-21 CN disclosed
CN-115055207-A Method for preparing aryl phosphine by reducing aryl phosphine oxide 清华大学 2022-09-16 CN disclosed
US-6531633-B2 Grignard reaction of bromobenzene substituted with fluoroalkyl group and diphenylphosphinic chloride in an organic solvent and magnesium, followed by nitration in sulfuric and nitric acids and hydrogenation in presence of palladium KWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-03-11 US disclosed
US-20020095057-A1 Triarylphosphine oxide derivatives containing fluorine substituent and preparing method thereof KWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-07-18 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 (1 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-20020095057-A1 Triarylphosphine oxide derivatives containing fluorine substituent and preparing method thereof PFAS, PTK2, PARP1 KIF11 760/4885ALDH1A1 3785/4885TSHR 1457/4885

“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.