SCHEMBL25930149

SCHEMBL25930149

OC(O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ PTPN1 P18031 1/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ NR1H2 P55055 4/20 0.42
▸ NR1H3 Q13133 4/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP19A1 P11511 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KCNN4 O15554 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ PGK2 P07205 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ LMNA P02545 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
SCHEMBL31357395 0.82 CYP1A2 (0.48) ALDH1A1TSHRPTPN1CYP1A2CYP2C9
SCHEMBL25930137 0.79 ALDH1A1 (0.48) ALDH1A1TSHRPTPN1CYP1A2NR1H2
SCHEMBL542694 0.78 NR1H3 (0.63) ALDH1A1TSHRNR1H2NR1H3
SCHEMBL13219505 0.78 ALDH1A1 (0.52) ALDH1A1TSHRPTPN1CYP1A2NR1H2
SCHEMBL5865852 0.78 TSHR (0.52) ALDH1A1TSHRPTPN1CYP1A2NR1H2
SCHEMBL24425452 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL2864482 0.78 NR1H3 (0.57) ALDH1A1TSHRPTPN1NR1H2NR1H3
SCHEMBL9548120 0.77 ALDH1A1 (0.58) ALDH1A1TSHRPTPN1CYP1A2NR1H2
SCHEMBL536228 0.77 ALDH1A1 (0.58) ALDH1A1TSHRPTPN1CYP1A2NR1H2
Water SCHEMBL29107396 0.76 NR1H3 (0.61) ALDH1A1TSHRNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933703-A Fluorine-containing polyimide resin, preparation method and application thereof, biomass material-based electric power insulation rope and preparation method thereof 国网安徽省电力有限公司电力科学研究院 2022-08-23 — — CN claimed
CN-112321828-A Bio-based fluorine-containing polyimide resin, preparation method thereof and polyimide film 合肥利夫生物科技有限公司 2021-02-05 — — CN claimed
US-20230227797-A1 TRANSAMINASE MUTANT AND USE THEREOF ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-07-20 — — US disclosed
US-20230227797-A1 TRANSAMINASE MUTANT AND USE THEREOF ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-07-20 — — US disclosed
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 — — US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 — — WO disclosed
CN-114933703-A Fluorine-containing polyimide resin, preparation method and application thereof, biomass material-based electric power insulation rope and preparation method thereof 国网安徽省电力有限公司电力科学研究院 2022-08-23 — — CN disclosed
CN-112321828-A Bio-based fluorine-containing polyimide resin, preparation method thereof and polyimide film 合肥利夫生物科技有限公司 2021-02-05 — — CN 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 (1 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-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 ALDH1A1 781/4885TSHR 589/4885PTPN1 1097/4885

“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.

Send feedback