SCHEMBL1829652

SCHEMBL1829652

CCCCCCCCCCCCCCCOC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.79
▸ LMNA P02545 5/20 0.73
▸ TSHR P16473 5/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ NPC1 O15118 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ MAPK1 P28482 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ TP53 P04637 1/20 0.69
▸ CNR2 P34972 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ ESR1 P03372 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ NR1H2 P55055 1/20 0.62
▸ RNASEL Q05823 1/20 0.62

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
Nonyl Benzoate SCHEMBL634555 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
Benzoic Acid Octyl Ester SCHEMBL132523 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL10532726 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL1691929 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL4787815 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
Benzoic Acid Hexyl Ester SCHEMBL112029 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL131377 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL1119942 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL20822083 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL4337578 1.00 TDP1 (0.79) TDP1LMNATSHRALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045399-B2 Residue-minimized antiperspirant composition with improved skin feel HENKEL AG & CO. KGAA (DE) 2021-06-29 — — US disclosed
CN-111329904-A Traditional Chinese medicine composition of external spray for treating arthralgia and application thereof 刘仁海 2020-06-26 — — CN disclosed
US-20190183743-A1 ANHYDROUS, ANTIPERSPIRANT COMPOSITION HAVING IMPROVED STABILITY HENKEL AG & CO. KGAA (DE) 2019-06-20 — — US disclosed
US-20190183753-A1 RESIDUE-MINIMIZED ANTIPERSPIRANT COMPOSITION WITH IMPROVED SKIN FEEL HENKEL AG & CO. KGAA (DE) 2019-06-20 — — US disclosed
US-20170157025-A1 TEXTILE FRIENDLY ANTIPERSPIRANT COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2017-06-08 — — US disclosed
US-20170100323-A1 Clear Compositions and Methods for the Delivery of Active Ingredients for Skin Care ARBONNE INT LLC (US) 2017-04-13 — — US disclosed
EP-3151923-A1 CLEAR COMPOSITIONS AND METHODS FOR THE DELIVERY OF ACTIVE INGREDIENTS FOR SKIN CARE Arbonne International LLC (US) 2017-04-12 — — EP disclosed
EP-2593079-B1 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-16 — — EP disclosed
EP-2593077-B1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-02 — — EP disclosed
WO-2015187921-A1 CLEAR COMPOSITIONS AND METHODS FOR THE DELIVERY OF ACTIVE INGREDIENTS FOR SKIN CARE ARBONNE INTERNATIONAL, LLC (US) 2015-12-10 — — WO disclosed
US-20030053967-A1 Use of 3,4-dihydroxy-mandelic acid for protecting against oxidative damage caused by ultra-violet light HAARMANN & REIMER GMBH (DE) 2003-03-20 — — US disclosed
US-20030049287-A1 Catechol oximes and their use in cosmetic and dermatological preparations HAARMANN & REIMER GMBH (DE) 2003-03-13 — — US disclosed
US-20020128268-A1 Use of 2-hydrazino-1,3-thiazoles as antioxidants HAARMANN & REIMER GMBH (DE) 2002-09-12 — — US disclosed
US-6395260-B1 SKIN LIGHTENING COMPOSITIONS HAARMANN & REIMER GMBH (DE) 2002-05-28 — — US disclosed
EP-0709080-B1 Photostable cosmetic light screening compositions HOFFMANN LA ROCHE (CH) 2002-01-30 — — EP disclosed
US-6322776-B1 Anhydrous high-SPF ultraviolet light screens SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. 2001-11-27 — — US disclosed
US-6193959-B1 FOR PROTECTION OF THE HUMAN EPIDERMIS AND HAIR AGAINST THE ULTRAVIOLET RAYS; SUNSCREEN AGENTS ROCHE VITAMINS INC. 2001-02-27 — — US disclosed
WO-2000078278-A1 ANHYDROUS ULTRAVIOLET LIGHT SCREENING COMPOSITION CONTAINING OCTOCRYLENE SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 2000-12-28 — — WO disclosed
EP-1060735-A1 Anhydrous ultraviolet light screening composition containing octocrylene SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 2000-12-20 — — EP disclosed
EP-0709080-A1 Photostable cosmetic light screening compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-05-01 — — 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-20020128268-A1 Use of 2-hydrazino-1,3-thiazoles as antioxidants GPX1, LPO, GPX4 TDP1 1809/4885LMNA 2539/4885TSHR 2258/4885
US-20170100323-A1 Clear Compositions and Methods for the Delivery of Active Ingredients for Skin Care CUTA, DSG1, AQP3 TDP1 1260/4885LMNA 45/4885TSHR 2993/4885
US-20030049287-A1 Catechol oximes and their use in cosmetic and dermatological preparations TYR, LPO, COMT TDP1 989/4885LMNA 4505/4885TSHR 3681/4885

“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.

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