SCHEMBL3854273

SCHEMBL3854273

CC(C)Cc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ TSHR P16473 4/20 0.56
▸ ALOX12 P18054 4/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ LMNA P02545 4/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ PTGS1 P23219 4/20 0.54
▸ PTGS2 P35354 4/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ HPGD P15428 2/20 0.51
▸ CYP2C9 P11712 3/20 0.48

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
Diphenylamine SCHEMBL28839542 0.94 HSD17B10 (0.53) ALDH1A1HSD17B10TSHRALOX12ALOX15
SCHEMBL13769436 0.85 PTGS1 (0.46) ALDH1A1HSD17B10TSHRALOX12ALOX15
SCHEMBL14041544 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRALOX12ALOX15
SCHEMBL9652406 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRALOX12ALOX15
SCHEMBL18133126 0.83 HPGD (0.50) TSHRLMNAL3MBTL1PTGS1PTGS2
SCHEMBL20782071 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRALOX12ALOX15
SCHEMBL3437767 0.82 NPC1 (0.45) TSHRLMNAPTGS1PTGS2CYP2C9
SCHEMBL22636511 0.80 ESR1 (0.50) ALDH1A1HSD17B10TSHRALOX12ALOX15
SCHEMBL998287 0.80 ESR1 (0.50) ALDH1A1HSD17B10TSHRALOX12ALOX15
SCHEMBL20715474 0.80 SMN1; SMN2 (0.59) TSHRHIF1ALMNAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20220352466-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-11-03 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — US disclosed
CN-1768029-B Aromatic amine derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO.,LTD. (JP) 2012-02-08 — — CN disclosed
CN-101789496-B Aromatic amine derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO.,LTD. (JP) 2011-12-28 — — CN disclosed
CN-101789496-A Aromatic amine derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO 2010-07-28 — — CN disclosed
US-7586006-B2 Aromatic amine derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2009-09-08 — — US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 — — US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 — — US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 — — US disclosed
US-20060202190-A1 Aromatic amine derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-09-14 — — US disclosed
CN-1768029-A Aromatic amine derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2006-05-03 — — CN disclosed
EP-1612202-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-01-04 — — EP disclosed
EP-0650955-B1 Amine compound and electro-luminescence device comprising same HODOGAYA CHEMICAL CO LTD (JP) 1998-08-19 — — EP disclosed
US-5707747-A CHARGE TRANSPORT COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 1998-01-13 — — US disclosed
US-5639914-A DURABLE, STABLE, LOW VOLTAGE ELECTROLUMINESCENT EMITTERS HODOGAYA CHEMICAL CO., LTD. (JP) 1997-06-17 — — US disclosed
EP-0650955-A1 Amine compound and electro-luminescence device comprising same HODOGAYA CHEMICAL CO., LTD. (JP) 1995-05-03 — — 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 (5 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885HSD17B10 2047/4885TSHR 4145/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 ALDH1A1 1808/4885HSD17B10 2047/4885TSHR 4145/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885HSD17B10 2047/4885TSHR 4145/4885
US-20060202190-A1 Aromatic amine derivative and organic electroluminescent element employing the same TYR, MAOA, MAOB ALDH1A1 89/4885HSD17B10 3861/4885TSHR 3155/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885HSD17B10 209/4885TSHR 780/4885

“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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