SCHEMBL229170

SCHEMBL229170

COc1cccc(C(=O)c2ccc(O)cc2O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
ALDH1A1 P00352 4/20 0.70
LMNA P02545 3/20 0.70
CYP1A2 P05177 2/20 0.70
PGR P06401 2/20 0.70
SLC6A2 P23975 2/20 0.70
CYP2C19 P33261 2/20 0.70
MAPK1 P28482 2/20 0.70
CYP2D6 P10635 1/20 0.70
PDE4A P27815 1/20 0.70
HRH1 P35367 1/20 0.70
HTT P42858 1/20 0.70
SLC6A3 Q01959 1/20 0.70
PDE4D Q08499 1/20 0.70
NPC1 O15118 3/20 0.63
RAB9A P51151 2/20 0.63
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
USP2 O75604 1/20 0.61
GAA P10253 1/20 0.61

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
SCHEMBL30374983 1.00 HPGD (0.70) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL229995 0.94 HPGD (0.79) HPGDALDH1A1LMNACYP1A2PGR
Oxybenzone SCHEMBL1954205 0.88 HPGD (0.91) HPGDALDH1A1LMNACYP1A2PGR
Oxybenzone SCHEMBL28775824 0.87 HPGD (0.88) HPGDALDH1A1LMNACYP1A2PGR
Oxybenzone SCHEMBL7182539 0.87 HPGD (0.88) HPGDALDH1A1LMNACYP1A2PGR
2,4-Dihydroxybenzophenone SCHEMBL18279847 0.87 HPGD (0.88) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL30374758 0.86 NPC1 (0.64) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL5709903 0.86 NPC1 (0.64) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL30900821 0.84 NPC1 (0.89) HPGDALDH1A1LMNACYP1A2PGR
SCHEMBL93206 0.84 NPC1 (0.89) HPGDALDH1A1LMNACYP1A2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
WO-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 WO disclosed
WO-2020203603-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME パイロットインキ株式会社 2020-10-08 WO disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed
EP-1179435-A1 Reversible thermochromic composition having improved light-fastness and product comprising same The Pilot Ink Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-0442068-B1 Benzophenone derivatives and polymers containing phenolic hydroxyl groups BAYER AG (DE) 1994-06-08 EP disclosed
EP-0442068-A2 Benzophenone derivatives and polymers containing phenolic hydroxyl groups BAYER AG (DE) 1991-08-21 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 HPGD 2425/4885ALDH1A1 1111/4885LMNA 3237/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 HPGD 2727/4885ALDH1A1 2275/4885LMNA 1494/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HPGD 2415/4885ALDH1A1 1214/4885LMNA 2894/4885

“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.