SCHEMBL18367695

SCHEMBL18367695

CC(F)c1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 2/20 0.39
P2RX7 Q99572 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KIF11 P52732 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
HSD11B1 P28845 1/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
GABRB1 P18505 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
SCHEMBL10170299 0.84 ALDH1A1 (0.44) TSHRALDH1A1TDP1CA2P2RX7
SCHEMBL29414888 0.81 GABRA1 (0.46) TSHRALDH1A1TDP1CA2CYP3A4
SCHEMBL4667743 0.81 GABRA1 (0.46) TSHRALDH1A1TDP1CA2CYP3A4
SCHEMBL9621326 0.81 TSHR (0.46) TSHRALDH1A1TDP1CA2P2RX7
SCHEMBL25451248 0.81 CA2 (0.40) TSHRALDH1A1TDP1CA2P2RX7
SCHEMBL25451251 0.81 CA2 (0.40) TSHRALDH1A1TDP1CA2P2RX7
SCHEMBL25452142 0.79 P2RX7 (0.40) TSHRALDH1A1TDP1CA2P2RX7
SCHEMBL24816452 0.77 TSHR (0.43) TSHRALDH1A1TDP1CA2P2RX7
SCHEMBL8274423 0.77 ALDH1A1 (0.48) TSHRALDH1A1TDP1CA2CYP3A4
Hydrogen Peroxide SCHEMBL49977 0.77 GABRA1 (0.48) TSHRALDH1A1TDP1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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 (5 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALDH1A1 164/4885TDP1 3424/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALDH1A1 164/4885TDP1 3424/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALDH1A1 164/4885TDP1 3424/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS TSHR 11/4885ALDH1A1 2149/4885TDP1 1212/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TSHR 11/4885ALDH1A1 2149/4885TDP1 1212/4885

“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.