Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9189820 | 0.82 | CA2 (0.42) | ALDH1A1FNTAFNTB | |
| SCHEMBL10296055 | 0.81 | CES1 (0.43) | CES1CES2AKR1B1ALDH1A1MEN1 | |
| SCHEMBL11074865 | 0.81 | CES1 (0.43) | CES1CES2AKR1B1ALDH1A1MEN1 | |
| SCHEMBL1071378 | 0.81 | CES2 (0.43) | CES1CES2AKR1B1ALDH1A1MEN1 | |
| SCHEMBL11074864 | 0.81 | CES1 (0.43) | CES1CES2AKR1B1ALDH1A1MEN1 | |
| SCHEMBL8960351 | 0.80 | KMT2A (0.37) | MEN1KMT2AHPGD | |
| SCHEMBL8565964 | 0.80 | CTBP2 (0.44) | IDO1HDAC8HDAC6TSHR | |
| SCHEMBL8566370 | 0.80 | BCL2 (0.35) | IDO1KMT2AHDAC8HDAC6TP53 | |
| SCHEMBL28806825 | 0.79 | CES1 (0.41) | CES1CES2AKR1B1ALDH1A1MEN1 | |
| SCHEMBL563812 | 0.79 | CES2 (0.41) | CES1CES2AKR1B1ALDH1A1MEN1 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006059345-A2 | PROCESS FOR THE PREPARATION OF ACETYLENIC RETINOID | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2006-06-08 | — | — | WO | claimed |
| WO-2006059345-A3 | PROCESS FOR THE PREPARATION OF ACETYLENIC RETINOID | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2009-10-15 | — | — | WO | disclosed |
| US-7414143-B2 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2008-08-19 | — | — | US | disclosed |
| WO-2006059345-A2 | PROCESS FOR THE PREPARATION OF ACETYLENIC RETINOID | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2006-06-08 | — | — | WO | disclosed |
| WO-2006059345-A2 | PROCESS FOR THE PREPARATION OF ACETYLENIC RETINOID | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2006-06-08 | — | — | 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 |
| EP-0785782-B1 | USE OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN INC (US) | 2004-09-08 | — | — | EP | disclosed |
| US-5234926-A | Skin disorders | ALLERGAN, INC. (US) | 1993-08-10 | — | — | US | disclosed |
| EP-0284288-B1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5089509-A | Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity | ALLERGAN, INC. (US) | 1992-02-18 | — | — | US | disclosed |
| EP-0290130-B1 | ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY | ALLERGAN, INC (US) | 1991-11-06 | — | — | EP | disclosed |
| US-5053523-A | Chemical intermediate for compounds having retinoic acid-like activity | ALLERGAN, INC. (US) | 1991-10-01 | — | — | US | disclosed |
| US-5023341-A | Acetylene thiochroman | ALLERGAN, INC. (US) | 1991-06-11 | — | — | US | disclosed |
| EP-0419132-A2 | Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |
| US-4810804-A | PSORIASIS | ALLERGAN, INC. (US) | 1989-03-07 | — | — | US | disclosed |
| EP-0290130-A1 | Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity | ALLERGAN, INC (US) | 1988-11-09 | — | — | EP | disclosed |
| EP-0284288-A1 | Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity | ALLERGAN, INC (US) | 1988-09-28 | — | — | EP | 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 (2 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-20050240029-A1 | Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman | YAP1, SDHA, SDHB | CES1 1709/4885CES2 3333/4885AKR1B1 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 | CES1 1764/4885CES2 3329/4885AKR1B1 544/4885 |
“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.