SCHEMBL2666166

SCHEMBL2666166

CCc1cccc(CI)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
MGLL Q99685 1/20 0.42
BCL2 P10415 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
NOTUM Q6P988 1/20 0.40
TRPA1 O75762 1/20 0.39
IDO1 P14902 1/20 0.39
KIF11 P52732 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL646951 0.87 ALDH1A1 (0.43) CYP1A2IDO1ALDH1A1MAPTLMNA
SCHEMBL166894 0.87 TP53 (0.61) TP53CYP1A2CYP2A6MGLLBCL2
Benzene SCHEMBL9785236 0.84 TP53 (0.67) TP53CYP1A2CYP2A6MGLLBCL2
Ammonia Solution, Strong SCHEMBL28805948 0.84 TP53 (0.58) TP53CYP1A2CYP2A6MGLLBCL2
SCHEMBL28256639 0.84 TP53 (0.58) TP53CYP1A2CYP2A6MGLLBCL2
Ethyne SCHEMBL28293458 0.81 TP53 (0.55) TP53CYP1A2CYP2A6MGLLBCL2
Ethylene SCHEMBL27256792 0.81 TP53 (0.55) TP53CYP1A2CYP2A6MGLLBCL2
Methyl Alcohol SCHEMBL28745884 0.81 TP53 (0.55) TP53CYP1A2CYP2A6MGLLBCL2
Hydrogen Peroxide SCHEMBL11520377 0.81 TP53 (0.63) TP53CYP1A2CYP2A6MGLLBCL2
SCHEMBL13313981 0.81 CNR1 (0.42) KIF11ALDH1A1SIGMAR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20210238141-A1 COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-05 US disclosed
US-20200407521-A1 POLYAMIDE-IMIDE FILM, PREPARATION METHOD THEREOF, AND DISPLAY FRONT PLATE AND DISPLAY DEVICE COMPRISING SAME MICROWORKS SOLUTIONS CO., LTD. (KR) 2020-12-31 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 US disclosed
EP-3670529-A1 ACYLATED OXYNTOMODULIN PEPTIDE ANALOG Dong-A St Co., Ltd. (KR) 2020-06-24 EP disclosed
US-9963605-B2 Coloring composition, ink jet recording ink, and ink jet recording method FUJIFILM CORPORATION (JP) 2018-05-08 US disclosed
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed
US-20170210928-A1 COLORING COMPOSITION, INK JET RECORDING INK, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2017-07-27 US disclosed
US-20170190928-A1 COLORING COMPOSITION, INK JET RECORDING INK, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2017-07-06 US disclosed
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
WO-2004100875-A2 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-11-25 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 (3 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-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 TP53 2926/4885CYP1A2 4768/4885CYP2A6 4483/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 TP53 2926/4885CYP1A2 4768/4885CYP2A6 4483/4885
US-20210238141-A1 COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT CARM1, KDM2B, UFM1 TP53 4499/4885CYP1A2 2226/4885CYP2A6 3446/4885

“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.