SCHEMBL3825543

SCHEMBL3825543

CCCC(C)(C)C.N=C=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL331183 1.00 TSHR (0.32) TSHRTDP1
SCHEMBL28243052 0.83 GGPS1 (0.33) TSHR
SCHEMBL9720003 0.83 GGPS1 (0.33) TSHR
SCHEMBL8966771 0.82
Isothiocyanate SCHEMBL330994 0.82 TSHR (0.32) TSHRTDP1
Isothiocyanate SCHEMBL12079901 0.82 TSHR (0.32) TSHRTDP1
SCHEMBL10335553 0.81 GGPS1 (0.41)
SCHEMBL484052 0.81 GGPS1 (0.41)
SCHEMBL20555 0.81 GGPS1 (0.41)
SCHEMBL10013009 0.80 TSHR (0.46) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4664979-A DURABLE MAGNETIC TAPES FUJI PHOTO FILM CO., LTD. (JP) 1987-05-12 US claimed
CN-115301171-B Preparation method of aqueous polyurethane microcapsule emulsion based on peppermint oil as core and application of aqueous polyurethane microcapsule emulsion to printing ink 扬州市祥华新材料科技有限公司 2023-12-29 CN disclosed
US-11760721-B2 Polymerizable composition for polythiourethane-based optical material SKC CO., LTD. (KR) 2023-09-19 US disclosed
EP-3480233-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL SKC CO LTD (KR) 2023-08-09 EP disclosed
WO-2020196846-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MEMBERS, OPTICAL MEMBER AND EYEGLASS LENS ホヤ レンズ タイランド リミテッド 2020-10-01 WO disclosed
WO-2020196847-A1 RESIN COMPOSITION FOR OPTICAL MEMBERS, OPTICAL MEMBER AND EYEGLASS LENS ホヤ レンズ タイランド リミテッド 2020-10-01 WO disclosed
US-20200290957-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL SK PUCORE CO., LTD. (KR) 2020-09-17 US disclosed
EP-2922114-B1 SWELLING TAPE FOR FILLING GAP LG CHEMICAL LTD (KR) 2020-09-16 EP disclosed
EP-2497791-B1 METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME MITSUI CHEMICALS INC (JP) 2020-05-13 EP disclosed
EP-3480233-A2 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL SKC Co., Ltd. (KR) 2019-05-08 EP disclosed
US-20010041313-A1 Photothermographic material KONICA CORPORATION (JP) 2001-11-15 US disclosed
EP-1150161-A2 Photothermographic material and image forming method KONICA CORPORATION (JP) 2001-10-31 EP disclosed
US-6297001-B1 NONPHOTOSENSITIVE ORGANIC SILVER SALT, A PHOTOSENSITIVE SILVER HALIDE, A REDUCING AGENT, A BINDER AND A CROSS-LINKING AGENT; THE PHOTOTHERMOGRAPHIC MATERIAL FURTHER COMPRISING A COMPOUND CAPABLE OF GENERATING A LABILE SPECIES OTHER THAN A HALOGEN KONICA CORPORATION (JP) 2001-10-02 US disclosed
US-20010024772-A1 Photothermographic material and image forming method KONICA CORPORATION (JP) 2001-09-27 US disclosed
EP-1132767-A2 Photothermographic material KONICA CORPORATION (JP) 2001-09-12 EP disclosed
EP-1126315-A2 Photothermographic material and image forming method KONICA CORPORATION (JP) 2001-08-22 EP disclosed
US-4664979-A DURABLE MAGNETIC TAPES FUJI PHOTO FILM CO., LTD. (JP) 1987-05-12 US disclosed
US-4444838-A CELLULOSE, SYNTHETIC RUBBER AND POLYISOCYANATE AS BINDER FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 US disclosed
US-4336308-A Magnetic recording media FUJI PHOTO FILM CO., LTD. (JP) 1982-06-22 US disclosed
US-4281060-A STABLE PHOTOGRAPHIC FILMS HAVING A COATING CONTAINING A POLYISOCYANATE OR A POLYISOCYANATE CONTAINING CARBAMATE GROUPS; WEAR RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 1981-07-28 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-11760721-B2 Polymerizable composition for polythiourethane-based optical material LAGE3, INCENP, IK TSHR 4712/4885TDP1 2316/4885
US-20200290957-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL LAGE3, INCENP, IK TSHR 4712/4885TDP1 2316/4885

“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.