SCHEMBL164046

SCHEMBL164046

C=C(C)C(=O)OCCO[C]=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
TSHR P16473 5/20 0.50
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL28715289 0.88 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.84 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.84 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL619217 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL9301341 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL8506065 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Formaldehyde SCHEMBL10432559 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL632736 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL9485953 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3286289 0.82 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US claimed
CN-115043987-A Composition for 3D printing, printing method and device 珠海赛纳三维科技有限公司 2022-09-13 CN claimed
US-20220137262-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2022-05-05 US claimed
EP-1872159-B1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON AND JOHNSON VISION CARE INC (US) 2019-09-04 EP claimed
US-10197707-B2 Ophthalmic devices comprising photochromic materials with reactive sub substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2019-02-05 US claimed
US-9465234-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2016-10-11 US claimed
EP-3042898-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2016-07-13 EP claimed
US-20150301357-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2015-10-22 US claimed
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP claimed
US-20150241601-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2015-08-27 US claimed
EP-1866699-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-12-19 EP claimed
US-20070145337-A1 Photochromic 2H-naphthopyrans TRANSITIONS OPTICAL, INC. 2007-06-28 US claimed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO claimed
WO-2006110520-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO claimed
WO-2006110221-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO claimed
WO-2006110219-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO claimed
US-20060226401-A1 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. 2006-10-12 US claimed
US-20060226400-A1 Photochromic materials with reactive substituents TRANSITIONS OPTICAL LIMITED (IE) 2006-10-12 US claimed
US-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. 2006-10-12 US claimed
US-20060226402-A1 Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems KIM BEON-KYU 2006-10-12 US claimed

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-20060228557-A1 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same INCENP, PCNA, INTS6 THRB 4882/4885TSHR 4793/4885ALDH1A1 2220/4885

“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.