SCHEMBL173020

SCHEMBL173020

Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
TAS2R14 Q9NYV8 1/20 0.41
NOTUM Q6P988 1/20 0.40
CHRM3 P20309 1/20 0.39
ACHE P22303 1/20 0.39
P2RX7 Q99572 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MPL P40238 1/20 0.37
CTSS P25774 1/20 0.36
DHODH Q02127 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPA1 O75762 1/20 0.35
KCNN4 O15554 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AXL P30530 1/20 0.34
KIF11 P52732 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL28723095 0.98 HSD11B1 (0.44) HSD11B1TAS2R14NOTUMCHRM3ACHE
SCHEMBL6630838 0.85 TAS2R14 (0.46) HSD11B1TAS2R14NOTUMP2RX7SMN1; SMN2
SCHEMBL10080312 0.84 CHRM3 (0.38) HSD11B1TAS2R14CHRM3ACHESLC22A12
SCHEMBL26375361 0.81 HSD11B1 (0.50) HSD11B1TAS2R14NOTUMACHEMPL
SCHEMBL8254661 0.81 CA2 (0.46) HSD11B1CHRM3ACHESMN1; SMN2TRPA1
SCHEMBL19585261 0.78 KIF11 (0.36) HSD11B1TAS2R14MPLKIF11
SCHEMBL3821590 0.78 TRPA1 (0.48) HSD11B1TAS2R14NOTUMACHEP2RX7
SCHEMBL30867018 0.78 TRPA1 (0.48) HSD11B1TAS2R14NOTUMACHEP2RX7
SCHEMBL23886300 0.77 CHRM3 (0.37) HSD11B1CHRM3ACHESMN1; SMN2MPL
SCHEMBL11955140 0.76 CA2 (0.46) HSD11B1TAS2R14NOTUMP2RX7CTSS

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 219 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
WO-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 WO disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
US-11634445-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-04-25 US disclosed
US-6048986-A DEHYDRATION OF DIFLUOROPYROMELLITIC ACID TO FORM DIFLUOROPYROMELLITIC DIANHYDRIDE NIPPON TELEGRAPH AND TELEPHONE CORP. (JP) 2000-04-11 US disclosed
US-5849934-A Method for preparing aromatic compounds NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1998-12-15 US disclosed
US-5750731-A POLYIMIDE ANHYDRIDE MONOMERS NIPPON TELEGRAPH & TELEPHONE CORPORATION (JP) 1998-05-12 US disclosed
EP-0480266-B1 Perfluorinated polyimide, perfluorinated poly(amic acid), starting compounds therefor, and methods for preparing them NIPPON TELEGRAPH & TELEPHONE (JP) 1996-06-26 EP disclosed
US-5449741-A Electronics with impact strength NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1995-09-12 US disclosed
US-5336670-A 2,2-dimethyl-3-(but-1-en-3-ynyl)-cyclopropane carboxylates ROUSSEL-UCLAF (FR) 1994-08-09 US disclosed
US-5233018-A Heat resistance and low optical transmission loss in the near-infrared region; integrated circuits NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1993-08-03 US disclosed
EP-0480266-A2 Perfluorinated polyimide, perfluorinated poly(amic acid), starting compounds therefor, and methods for preparing them NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1992-04-15 EP disclosed
US-4141912-A Process for the preparation of polyhalobenzylic disulfooxonium compounds HOOKER CHEMICALS & PLASTICS CORP. (US) 1979-02-27 US disclosed
US-4075238-A Polyhalobenzylic disulfooxonium compounds HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-02-21 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 (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-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS DHODH, DLD, DHRS9 HSD11B1 50/4885TAS2R14 3025/4885NOTUM 686/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 HSD11B1 608/4885TAS2R14 2752/4885NOTUM 2913/4885
US-11634445-B2 Organic electroluminescent materials and devices L1CAM, EPCAM, SOD1 HSD11B1 4676/4885TAS2R14 1535/4885NOTUM 3877/4885

“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.