SCHEMBL7174656

SCHEMBL7174656

COc1cc(OC)c(C(=O)Pc2ccccc2-c2ccccc2)c(OC)c1.[LiH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 3/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HK2 P52789 1/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Lithium SCHEMBL7174661 0.97 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7179347 0.88 CA12 (0.47) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
Lithium SCHEMBL7179357 0.85 CA12 (0.47) ALDH1A1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL7184864 0.82 CYP3A4 (0.45) ALDH1A1SMN1; SMN2CYP3A4MAPK1USP2
SCHEMBL7185185 0.81 KMT2A (0.43) ALDH1A1SMN1; SMN2CYP3A4MAPK1USP2
SCHEMBL7177161 0.81 FABP4 (0.47) ALDH1A1MAPK1KMT2AMAPTKDM4E
SCHEMBL7185189 0.80 KMT2A (0.47) ALDH1A1SMN1; SMN2CYP3A4MAPK1USP2
Lithium SCHEMBL7184876 0.80 CYP3A4 (0.45) ALDH1A1SMN1; SMN2CYP3A4MAPK1USP2
Lithium SCHEMBL7177166 0.78 FABP4 (0.47) ALDH1A1MAPK1KMT2AMAPTKDM4E
SCHEMBL7187428 0.78 TSHR (0.46) ALDH1A1SMN1; SMN2CYP3A4MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579663-B2 Chemical intermediates such as lithium 2,6-dimethylbenzoyl phenylphosphine for preparation of acylphosphines, acylphosphine oxides or acylphosphine sulfides CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
US-20020107413-A1 Organometallic monoacylarylphosphines WOLF JEAN-PIERRE (CH) 2002-08-08 US disclosed
US-6399805-B2 SUCH AS LITHIUM 2,6-DIMETHYLBENZOYLPHENYLPHOSPHINE, USE AS PHOTOINITIATORS IN PHOTOCURABLE COMPOSITIONS SUCH AS FOR PHOTOGRAPHIC PRODUCTION OF RELIEF IMAGES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 US disclosed
US-20010031898-A1 Organometallic monoacylarylphosphines CIBA SPECIALTY CHEMICALS CORP. 2001-10-18 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-20020107413-A1 Organometallic monoacylarylphosphines CBR1, NAF1, DHCR24 TAS1R3 2990/4885TAS1R1 3374/4885ALDH1A1 3416/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 TAS1R3 3176/4885TAS1R1 3927/4885ALDH1A1 3984/4885

“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.