SCHEMBL21723686

SCHEMBL21723686

CN(C)Cc1ccc(P)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.64
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
TAAR1 Q96RJ0 2/20 0.54
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
HTR7 P34969 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL659509 0.86 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL2215453 0.79 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12679031 0.78 HRH3 (1.00) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12374 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL10050868 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
Phosphine SCHEMBL25337730 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL6785180 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
Hydrochloric Acid SCHEMBL21821247 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL116611 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12167936 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3

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
US-11319276-B2 Preparation of diesters of (meth)acrylic acid from epoxides EVONIK OPERATIONS GMBH (DE) 2022-05-03 US disclosed
EP-3652141-B1 PREPARATION OF DIESTERS OF (METH)ACRYLIC ACID FROM EPOXIDES EVONIK DEGUSSA GMBH (DE) 2021-08-11 EP disclosed
US-20210179531-A1 PREPARATION OF DIESTERS OF (METH)ACRYLIC ACID FROM EPOXIDES EVONIK OPERATIONS GMBH (DE) 2021-06-17 US disclosed
EP-3652141-A1 PREPARATION OF DIESTERS OF (METH)ACRYLIC ACID FROM EPOXIDES Evonik Degussa GmbH (DE) 2020-05-20 EP disclosed
WO-2020035561-A1 PREPARATION OF DIESTERS OF (METH)ACRYLIC ACID FROM EPOXIDES EVONIK OPERATIONS GMBH (DE) 2020-02-20 WO 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-20210179531-A1 PREPARATION OF DIESTERS OF (METH)ACRYLIC ACID FROM EPOXIDES MMAB, EPHX2, MTHFD2 HRH3 796/4885ALDH1A1 96/4885TSHR 3087/4885
US-11319276-B2 Preparation of diesters of (meth)acrylic acid from epoxides MMAB, EPHX2, MTHFD2 HRH3 796/4885ALDH1A1 96/4885TSHR 3087/4885

“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.