SCHEMBL22321985

SCHEMBL22321985

COc1ccc(OP(=O)(O)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
ACP3 P15309 1/20 0.50
LTA4H P09960 1/20 0.50
HPGD P15428 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SRC P12931 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL3836998 0.88 SRC (0.57) TSHRHPGDHTTPLAUSRC
SCHEMBL27882402 0.86 LMNA (0.52) TSHRLTA4HHPGDHTTPLAU
SCHEMBL27882400 0.83 MAOA (0.47) TSHRHPGDRAB9ANPC1PLAU
SCHEMBL22321983 0.83 SRC (0.44) TSHRHPGDHTTPLAUMAPT
SCHEMBL22321984 0.83 LTA4H (0.53) ALDH1A1TSHRACP3LTA4HHPGD
SCHEMBL27882575 0.80 PARP10 (0.56) ALDH1A1TSHRPLAUMAPT
SCHEMBL11496258 0.79 HTT (0.51) ALDH1A1TSHRLTA4HRAB9ANPC1
SCHEMBL22322102 0.78 CA1 (0.59) ALDH1A1TSHRRAB9ANPC1HTT
SCHEMBL232550 0.78 LAP3 (0.51) TSHRHPGD
SCHEMBL28701098 0.78 KLK8 (0.57) ACP3LTA4HHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 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-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES SLC35B2, PPIP5K2, PPA1 ALDH1A1 4078/4885TSHR 733/4885ACP3 78/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 ALDH1A1 4078/4885TSHR 733/4885ACP3 78/4885

“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.