Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PAM | P19021 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4372316 | 0.81 | KMT2A (0.37) | MEN1KMT2ALMNAHPGD | |
| SCHEMBL11074864 | 0.79 | CES1 (0.43) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL11074865 | 0.79 | CES1 (0.43) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL1071378 | 0.79 | CES2 (0.43) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL10296055 | 0.79 | CES1 (0.43) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL9006997 | 0.79 | TAAR1 (0.40) | — | |
| SCHEMBL28806825 | 0.78 | CES1 (0.41) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL563812 | 0.78 | CES2 (0.41) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL4313733 | 0.78 | CES1 (0.41) | CES2CES1AKR1B1MEN1KMT2A | |
| SCHEMBL523309 | 0.76 | CES1 (0.48) | CES2CES1AKR1B1MEN1KMT2A |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7414143-B2 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2008-08-19 | — | — | US | disclosed |
| US-20070238881-A1 | Process for the preparation of tazarotene intermediates and use thereof for the preparation of tazarotene | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2007-10-11 | — | — | US | disclosed |
| US-20060106233-A1 | Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2006-05-18 | — | — | US | disclosed |
| WO-2005123713-A1 | PROCESS FOR THE PREPARATION OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS | GLENMARK PHARMACEUTICALS LIMITED (US) | 2005-12-29 | — | — | WO | disclosed |
| US-6963002-B2 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | GLENMARK PHARMACEUTICALS LIMITED (US) | 2005-11-08 | — | — | US | disclosed |
| US-20050240029-A1 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2005-10-27 | — | — | US | disclosed |
| WO-2005003125-A1 | PROCESS FOR THE PREPARATION OF 4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN | GLENMARK PHARMACEUTICALS LIMITED (US) | 2005-01-13 | — | — | WO | disclosed |
| US-20050004373-A1 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | GLENMARK GENERICS LTD. (IN) | 2005-01-06 | — | — | 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 (4 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070238881-A1 | Process for the preparation of tazarotene intermediates and use thereof for the preparation of tazarotene | NAMPT, NAPRT, NNT | CES2 3722/4885CES1 1479/4885AKR1B1 875/4885 |
| US-20050240029-A1 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | YAP1, SDHA, SDHB | CES2 3333/4885CES1 1709/4885AKR1B1 466/4885 |
| US-20050004373-A1 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | YAP1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SDHA | CES2 3329/4885CES1 1764/4885AKR1B1 544/4885 |
| US-20060106233-A1 | Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups | CBR3, NR1H2, NR3C2 | CES2 105/4885CES1 1078/4885AKR1B1 204/4885 |
“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.