SCHEMBL3086597

SCHEMBL3086597

CCC(C)OP(=O)(O)Cc1ccccc1I

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
TSHR P16473 3/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACP3 P15309 1/20 0.31
MAPT P10636 1/20 0.31
ANPEP P15144 1/20 0.30
LAP3 P28838 1/20 0.30

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
SCHEMBL916315 0.85 TSHR (0.49) IDO1TSHRCYP2D6KMT2A
SCHEMBL916701 0.84 KDM4E (0.36) TSHRALDH1A1KDM4EACP3
SCHEMBL642703 0.82 FDPS (0.42) TSHRALDH1A1KDM4ETDP1ACP3
SCHEMBL901668 0.82 ALDH1A1 (0.44) IDO1TSHRALDH1A1KMT2A
SCHEMBL2008230 0.82 EPHX2 (0.36) IDO1TSHRTAAR1KDM4EANPEP
SCHEMBL915190 0.80 FOLH1 (0.40) TSHRCYP2C9ALDH1A1KDM4EKMT2A
SCHEMBL9386757 0.80 SRC (0.39) TSHRALDH1A1KDM4EKMT2ATDP1
SCHEMBL4070829 0.79 EPHX2 (0.40) IDO1ALDH1A1KDM4EKMT2AACP3
SCHEMBL9273637 0.79 TSHR (0.39) TSHRALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL1407856 0.78 TRPA1 (0.42) TSHRCYP1A2KMT2AANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227623-B2 Process for the preparation of asenapine and intermediate products used in said process MSD OSS B.V. (NL) 2012-07-24 US disclosed
US-20100234618-A1 Process for the Preparation of Asenapine and Intermediate Products Used in Said Process N.V. ORGANON (NL) 2010-09-16 US disclosed
US-7750167-B2 Process for the preparation of asenapine and intermediate products used in said process N.V. ORGANON (NL) 2010-07-06 US disclosed
EP-2044076-B1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. ORGANON NV (NL) 2009-10-14 EP disclosed
EP-2044076-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. N.V. Organon (NL) 2009-04-08 EP disclosed
US-20080009619-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON (NL) 2008-01-10 US disclosed
WO-2008003460-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. N.V. ORGANON (NL) 2008-01-10 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-20080009619-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT IDO1 1762/4885TSHR 3446/4885CYP1A2 11/4885
US-20100234618-A1 Process for the Preparation of Asenapine and Intermediate Products Used in Said Process DHPS, CYP3A5, PNMT IDO1 1762/4885TSHR 3446/4885CYP1A2 11/4885

“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.